Risto Nieminen

Taipuu vaan ei taitu — koronapandemiasta Suomen kriisinkestävyyden vahvistamiseen.

Anna Mauranen, Eva-Mari Aro, Riitta Hari, Sirpa Jalkanen, Markku Kulmala, Arto Mustajoki, Risto Nieminen, Ilkka Niiniluoto, Kari Raivio, Jorma Sipilä, Kirsi Tirri 2021

Structural details of Al/Al2O3 junctions and their role in the formation of electron tunnel barriers

Manana Koberidze, Martti Puska, Risto Nieminen 2018 Physical Review B

Erratum: Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials [Phys. Rev. X 4, 031044 (2014)]

Hannu-Pekka Komsa, Natalia Berseneva, Arkady V. Krasheninnikov, Risto M. Nieminen 2018

Analysis of tip stability in adhesion process in AFM using potential energy surface

Yasuhiro Senda, Janne Blomqvist, Risto Nieminen 2018 e-Journal of Surface Science and Nanotechnology

Substitutional carbon doping of free-standing and Ru-supported BN sheets

N. Berseneva, H. P. Komsa, V. Vierimaa, T. Björkman, Z. Fan, A. Harju, M. Todorović, A. V. Krasheninnikov, R. M. Nieminen 2017 Journal of Physics Condensed Matter

Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

Tuomas P. Rossi, Kirsten T. Winther, Karsten W. Jacobsen, Risto M. Nieminen, Martti J. Puska, Kristian S. Thygesen 2017 Physical Review B

Kohn-Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory

Tuomas P. Rossi, Mikael Kuisma, Martti J. Puska, Risto M. Nieminen, Paul Erhart 2017 Journal of Chemical Theory and Computation

Stability of Tip in Adhesion Process on Atomic Force Microscopy Studied by Coupling Computational Model

Yasuhiro Senda, Janne Blomqvist, Risto Nieminen 2017 Applied Science and Convergence Technology

Effect of Magnetic Ordering on the Stability of Ni-Mn-Ga(-Co-Cu) Alloys Along the Tetragonal Deformation Path

Martin Zeleny, Alexei Sozinov, Torbjorn Bjorkman, Ladislav Straka, Oleg Heczko, Risto M. Nieminen 2017 IEEE Transactions on Magnetics

Grid-Based Projector-Augmented Wave Method

Samuli Hakala, Jussi Enkovaara, Ville Havu, Jun Yan, Lin Li, Chris O'Grady, Risto M. Nieminen 2016 Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics

Effect of interface geometry on electron tunnelling in Al/Al₂O₃/Al junctions

M. Koberidze, A. V. Feshchenko, M. J. Puska, R. M. Nieminen, J. P. Pekola 2016 Journal of Physics D: Applied Physics

An issue dedicated to the Ψk Volker Heine Young Investigator Award*

Angel Rubio, Risto Nieminen, Volker Heine 2016 European Physical Journal B

An issue dedicated to the Ψk Volker Heine Young Investigator Award*

Angel Rubio, Risto Nieminen, Volker Heine 2016 European Physical Journal B

Computational model for noncontact atomic force microscopy

Yasuhiro Senda, Janne Blomqvist, Risto M. Nieminen 2016 Journal of physics: Condensed matter

Mechanical Properties of Silicon Microstructures

Maria Ganchenkova, Risto M. Nieminen 2015 Handbook of Silicon Based MEMS Materials and Technologies

Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets

Tuomas P. Rossi, S. Lehtola, Arto Sakko, Martti J. Puska, Risto M. Nieminen 2015 Journal of Chemical Physics

Quantized Evolution of the Plasmonic Response in a Stretched Nanorod

Tuomas P. Rossi, Asier Zugarramurdi, Martti J. Puska, Risto M. Nieminen 2015 Physical Review Letters

Ab initio study of properties of Co- and Cu- Doped Ni-Mn-Ga alloys

M. Zelený, A. Sozinov, T. Björkman, L. Straka, R. M. Nieminen 2015 International Conference on Martensitic Transformations, ICOMAT-2014

Coronene Encapsulation in Single-Walled Carbon Nanotubes: Stacked Columns, Peapods, and Nanoribbons

I.V. Anoshkin, A.V. Talyzin, A.G. Nasibulin, A.V. Krasheninnikov, H. Jiang, R.M. Nieminen, E.I. Kauppinen 2014 ChemPhysChem

Characterization of aluminum oxide tunnel barriers by combining transport measurements and transmission electron microscopy imaging

T. Aref, A. Averin, S. van Dijken, A. Ferring, M. Koberidze, Ville Maisi, H.Q. Nguyend, R.M. Nieminen, J.P. Pekola, L.D. Yao 2014 Journal of Applied Physics

Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials

H.-P. Komsa, N. Berseneva, A.V. Krasheninnikov, R.M. Nieminen 2014 Physical Review X

Toward Stronger Al-BN Nanotube Composite Materials: Insights into Bonding at the Al/BN Interface from First-Principles Calculations

A.V. Krasheninnikov, N. Berseneva, D.G. Kvashnin, J. Enkovaara, T. Björkman, P.B. Sorokin, D.V. Shtansky, R.M. Nieminen, D. Golberg 2014 Journal of Physical Chemistry C

Influence of high-refractive-index oxide cores on optical properties of metal nanoshells

K. Laaksonen, S. Suomela, S. R. Puisto, N. K J Rostedt, Tapio Ala-Nissilä, R. M. Nieminen 2014 Journal of the Optical Society of America B: Optical Physics

Infuence of high-refractive-index oxide cores on optical properties of thin metal nanoshells

K. Laaksonen, S. Suomela, S.R. Puisto, N.K.J. Rostedt, T. Ala-Nissila, R.M. Nieminen 2014 Journal of the Optical Society of America B: Optical Physics

Nanoparticles of TiO2 and VO2 in dielectric media: Conditions for low optical scattering, and comparison between effective medium and four-flux theories

K. Laaksonen, S.-Y. Li, S.R. Puisto, N.K.J. Rostedt, T. Ala-Nissila, C.G. Granqvist, R. Nieminen, G.A. Niklasson 2014 Solar Energy Materials and Solar Cells

Formation, migration, and clustering of point defects in CuInSe2 from first principles

L. E. Oikkonen, M. G. Ganchenkova, A. P. Seitsonen, R. M. Nieminen 2014 Journal of physics: Condensed matter

Atomistic approach for simulating plasmons in nanostructures

Arto Sakko, Tuomas P. Rossi, Jussi Enkovaara, Risto M. Nieminen 2014 APPLIED PHYSICS A-MATERIALS SCIENCE AND PROCESSING

Dynamical coupling of plasmons and molecular excitations by hybrid quantum/classical calculations: time-domain approach

A. Sakko, T.P. Rossi, R.M. Nieminen 2014 Journal of physics: Condensed matter

Atomic force microscopy simulation by MD/continuum coupling method

Yasuhiro Senda, Nobuyuki Imahashi, Shuji Shimamura, Janne Blomqvist, Risto Nieminen 2014 INTEGRATED FERROELECTRICS

Energy dissipation of AFM studied by MD/continuum coupling model

Yasuhiro Senda, Nobuyuki Imahashi, Shuji Shimamura, Janne Blomqvist, Risto M. Nieminen 2014 e-Journal of Surface Science and Nanotechnology

First-principles study of Co- and Cu-doped Ni2MnGa along the tetragonal deformation path

M. Zelený, A. Sozinov, L. Straka, T. Björkman, Risto M. Nieminen 2014 Physical Review B

Electronic structure of boron-nitride sheets doped with carbon from advanced first-principles calculations

N. Berseneva, A. Gulans, A.V. Krasheninnikov, R.M. Nieminen 2013 Physical Review B

Formation of ruthenium cluster on nanocrystalline tungsten trioxide

Y. Fujioka, J. Frantti, R.M. Nieminen, A. M. Asiri 2013 Journal of Physical Chemistry C

Parallel electronic structure calculations using multiple graphics processing units (GPUs)

Samuli Hakala, Ville Havu, Jussi Enkovaara, Risto Nieminen 2013 Applied Parallel and Scientific Computing - 11th International Conference, PARA 2012, Revised Selected Papers

Magnetic impurity affected by spin-orbit coupling: Behavior near a topological phase transition

F.M. Hu, T.O. Wehling, J.E. Gubernatis, T. Frauenheim, R.M. Nieminen 2013 Physical Review B

Doped graphene as a material for oxygen reduction reaction in hydrogen fuel cells: a computational study

M. Kaukonen, A.V. Krasheninnikov, E. Kauppinen, R.M. Nieminen 2013 ACS Catalysis

Influence of high-refractive-index oxide coating on optical properties of metal nanoparticles

K. Laaksonen, S. Suomela, S.R. Puisto, N.K.J. Rostedt, T. Ala-Nissilä, R.M. Nieminen 2013 Journal of the Optical Society of America B: Optical Physics

Optical Properties of Thermochromic VO2 Nanoparticles

K. Laaksonen, S.-Y. Li, S.R. Puisto, G.A. Niklasson, T. Ala-Nissilä, R.M. Nieminen 2013 Nano-Optics for Enhancing LIght-Matter Interactions on a Molecular Scale

Two-Dimensional Materials from Data Filtering and Ab Initio Calculations

S. Lebègue, T. Björkman, M. Klintenberg, R.M. Nieminen, O. Eriksson 2013 Physical Review X

Effect of sodium incorporation into CuInSe2 from first principles

L.E. Oikkonen, M.G. Ganchenkova, A.P. Seitsonen, R.M. Nieminen 2013 Journal of Applied Physics

Mass transport in CuInSe2 from first principles

L.E. Oikkonen, M.G. Ganchenkova, A.P. Seitsonen, R.M. Nieminen 2013 Journal of Applied Physics

First-principles study of layered antiferromagnetic CuCrX2 (X = S, Se and Te)

Divya Srivastava, Girish C. Tewari, Maarit Karppinen, Risto M. Nieminen 2013 Journal of physics: Condensed matter

Challenges in truncating the hierarchy of time-dependent reduced density matrices equations

A. Akbari, M.J. Hashemi, A. Rubio, Risto Nieminen, Robert van Leeuwen 2012 Physical Review B

Are we van der Waals ready?

T. Björkman, A. Gulans, A.V. Krasheninnikov, R.M. Nieminen 2012 Journal of physics: Condensed matter

Van der Waals bonding in layered compounds from advanced density-functional first-principles calculations

T. Björkman, A. Gulans, A. V. Krasheninnikov, Risto Nieminen 2012 Physical Review Letters

High-pressure neutron study of the morphotropic lead-zirconate-titanate

J. Frantti, Y. Fujioka, Jinsuo Zhang, S. Wang, Sven C. Vogel, Risto Nieminen, A. M. Asiri, Y. Zhao, A. Y. Obaid, I. A. Mkhalid 2012 Journal of Applied Physics

Ferromagnetism in MgTiO 3-Ti 2O 3 solid solutions

Y. Fujioka, J. Frantti, R.M. Nieminen 2012 5th Biennial Conference on Advanced Materials and Nanotechnology, AMN-5, Wellington, 7 February 2011 - 11 February 2011

Structural properties of pure and nickel-modified nanocrystalline tungsten trioxide

Y. Fujioka, J. Frantti, A. M. Asiri, A. Y. Obaid, H. Jiang, R. M. Nieminen 2012 Journal of Physical Chemistry C

Effects of chemical functionalization on electronic transport in carbon nanobuds

P. Havu, Atte Sillanpää, Nino Runeberg, Jura Tarus, Eira T. Seppälä, R.M. Nieminen 2012 Physical Review B

Behavior of a Magnetic Impurity in Graphene in the Presence of a Vacancy

F.M. Hu, J.E. Gubernatis, Hai-Qing Lin, Yan-Chao Li, R.M. Nieminen 2012 Physical Review B

Simulated coating of carbon nanotube networks by a beam of carbon atoms

M. Kaukonen, R. Nieminen 2012 PHYSICA STATUS SOLIDI B: BASIC SOLID STATE PHYSICS

Redirecting focus in CuInSe2 research towards selenium-related defects

L.E. Oikkonen, M.G. Ganchenkova, A.P. Seitsonen, R.M. Nieminen 2012 Physical Review B

d⁰ Ferromagnetic Interface between Nonmagnetic Perovskites

R. Oja, M. Tyunina, L. Yao, T. Pinomaa, T. Kocourek, A. Dejneka, O. Stupakov, Miroslav Jelinek, V. Trepakov, S. van Dijken, R.M. Nieminen 2012 Physical Review Letters

The Role of Stable and Mobile Carbon Adspecies in Copper-Promoted Graphene Growth

S. Riikonen, A.V. Krasheninnikov, Lauri Halonen, R.M. Nieminen 2012 Journal of Physical Chemistry C

Fast convergence to equilibrium for long-chain polymer melts using a MD/continuum hybrid method

Y. Senda, M. Fujio, S. Shimamura, J. Blomqvist, R.M. Nieminen 2012 Journal of Chemical Physics

Ab initio study of Cu diffusion in α-cristobalite

M. Zelený, J. Hegedüs, A. S. Foster, D. A. Drabold, S. R. Elliott, R. M. Nieminen 2012 New Journal of Physics

Comment on "Intrinsic n-type Behavior in Transparent Conducting Oxides

Peter Agoston, Karsten Albe, Risto M. Nieminen, Martti J. Puska 2011 Physical Review Letters

Mechanisms of post-synthesis doping of boron-nitride nanostructures with carbon from first-principles simulations

N. Berseneva, A.V. Krasheninnikov, R.M. Nieminen 2011 Physical Review Letters

Reply to comment on "Mechanisms of post-synthesis doping of boron-nitride nanostructures with carbon from first-principles simulations"

N. Berseneva, A.V. Krasheninnikov, R.M. Nieminen 2011 Physical Review Letters

Hydrogen transport on graphene: Competition of mobility and desorption

V.A. Borodin, T.T. Vehviläinen, M.G. Ganchenkova, R.M. Nieminen 2011 Physical Review B

Bound and free self-interstitial defects in graphite and bilayer graphene: A computational study

A. Gulans, A.V. Krasheninnikov, M.J. Puska, R.M. Nieminen 2011 Physical Review B

Effect of gating and pressure on the electronic transport properties of crossed nanotube junctions: formation of a Schottky barrier

P. Havu, M.J. Hashemi, M. Kaukonen, E.T. Seppälä, R.M. Nieminen 2011 Journal of physics: Condensed matter

A hierarchical dualscale study of bisphenol-A-polycarbonate on a silicon surface

Karen Johnston, Risto M. Nieminen, Kurt Kremer 2011 Soft Matter

Attractive interaction between transition-metal atom impurities and vacancies in graphene: a first-principles study

Arkady V. Krasheninnikov, Risto M. Nieminen 2011 Theoretical Chemistry Accounts

Vacancies in CuInSe2: new insights from hybrid-functional calculations

L.E. Oikkonen, M.G. Ganchenkova, A.P. Seitsonen, R.M. Nieminen 2011 Journal of physics: Condensed matter

Synthesis of graphene nanoribbons encapsulated in single-walled carbon nanotubes

A.V. Talyzin, I.V. Anoshkin, A.V. Krasheninnikov, R.M. Nieminen, A.G. Nasibulin, H. Jiang, E.I. Kauppinen 2011 Nano Letters

Dielectric properties of NaNbO3:SrTiO3 interface nanolayer

M. Tyunina, R. Oja, M. Plekh, R.M. Nieminen 2011 Journal of Applied Physics

Hydrogen interaction with fullerenes: From C2O to graphene

T.T. Vehviläinen, M.G. Ganchenkova, L.E. Oikkonen, R.M. Nieminen 2011 Physical Review B

Nanoporous carbon structures based on C20

T.T. Vehviläinen, M.G. Ganchenkova, R.M. Nieminen 2011 Physical Review B

Energetics of intrinsic defects and their complexes in ZnO investigated by density functional calculations

R. Vidya, P. Ravindran, H. Fjellvag, B.G. Svensson, E. Monakhov, M. Ganchenkova, R.M. Nieminen 2011 Physical Review B

Limits for n-type doping in In2O3 and SnO2: A theoretical approach by first-principles calculations using hybrid-functional methodology

Péter Agoston, Christoph Körber, Andreas Klein, Martti J. Puska, Risto M. Nieminen, Karsten Albe 2010 Journal of Applied Physics

Migration and localization of metal atoms on strained graphene

Ovidiu Cretu, Arkady V. Krasheninnikov, Julio A. Rodríguez-Manzo, Litao Sun, Risto M. Nieminen, Florian Banhart 2010 Physical Review Letters

Dynamics of biomolecules from first principles

I. Degtyarenko, Risto M. Nieminen 2010 Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems

Electronic structure calculations with GPAW: A real-space implementation of the projector augmented-wave method

Jussi Enkovaara, C. Rostgaard, J.J. Mortensen, Jingzhe Chen, M. Dulak, L. Ferrighi, J. Gavnholt, C. Glinsvad, V. Haikola, H.A. Hansen, H.H. Kristoffersen, Mikael Kuisma, A.H. Larsen, Lauri Lehtovaara, M. P. Ljungberg, O. Lopez-Acevedo, P.G. Moses, J. Ojanen, T. Olsen, V. Petzold, N.A. Romero, J. Stausholm, M. Strange, G.A . Tritsaris, M. Vanin, Michael Walter, B. Hammer, H. Häkkinen, G.K.H. Madsen, Risto M. Nieminen, J.K. Norskov, M. Puska, Tapio Rantala, J. Schiotz, K.S. Thygesen, K.W. Jacobsen 2010 Journal of physics: Condensed matter

Density-wave instability in α−(BEDT-TTF)2KHg(SCN)4 studied by x-ray diffuse scattering and by first-principles calculations

Pascale Foury-Leylekian, Jean-Paul Pouget, Young-Joo Lee, Risto M. Nieminen, Pablo Ordejon, Enric Canadell 2010 Physical Review B

Mechanical Properties of Silicon Microstructures

Maria Ganchenkova, Risto M. Nieminen 2010 Handbook of Silicon Based MEMS Materials and Technologies

A first-principles study on magnetic coupling between carbon adatoms on graphene

Iann C. Gerber, Arkady V. Krasheninnikov, Adam S. Foster, Risto M. Nieminen 2010 New Journal of Physics

Octree-search Kinetic Monte Carlo

M.A. Gosalvez, Y. Xing, Kazuo Sato, Risto M. Nieminen 2010 Sensors and Actuators A: Physical

Boron nitride formation on magnesium studied by ab initio calculations

S. Riikonen, A. S. Foster, A. V. Krasheninnikov, R. M. Nieminen 2010 Physical Review B

Sub-monolayers of carbon on alpha-iron facets: an ab-initio study

Sampsa Riikonen, Arkady V. Krasheninnikov, Risto M. Nieminen 2010 Physical Review B

Submonolayers of carbon on α-Fe facets

S. Riikonen, A. V. Krasheninnikov, Risto Nieminen 2010 Physical Review B

Evidence for Strain-Induced Ferroelectric Order in Epitaxial Thin-Film KTaO3

M. Tyunina, J. Narkilahti, M. Plekh, Riku Oja, Risto M. Nieminen, A. Dejneka, V. Trepakov 2010 Physical Review Letters

Intrinsic n-type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In2O3, SnO2, and ZnO

Péter Ágoston, Karsten Albe, Risto M. Nieminen, Martti Puska 2009 Physical Review Letters

The Factors Behind the Morphotropic Phase Boundary in Piezoelectric Perovskites

Johannes Frantti, Ykari Fujioka, Jinsuo Zhang, S. Vogel, Yongqiang Wang, Yusheng Zhao, Risto M. Nieminen 2009 Journal of Physical Chemistry B

Electronic transport properties of Carbon Nanobuds

J.A. Fürst, J. Hashimi, T. Markussen, M. Brandbyge, Antti-Pekka Jauho, Risto M. Nieminen 2009 Physical Review B

Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations

Joachim A. Fürst, Javad Hashemi, Troels Markussen, Mads Brandbyge, Antti-Pekka Jauho, Risto M. Nieminen 2009 Physical Review B

Hydrogen in beryllium: solubility, transport and trapping

Maria Ganchenkova, Vladimir A. Borodin, Risto M. Nieminen 2009 Physical Review B

Vacancies and E-centers in silicon as multisymmetry defects

Maria G. Ganchenkova, Laura E. Oikkonen, Vladimir A. Borodin, S. Nicolaysen, Risto M. Nieminen 2009 Materials Science and Engineering B

Discrete and continous cellular automata for the simulation of propagating surfaces

Miguel Gosalvez, Yan Xing, Kazuo Sato, Risto M. Nieminen 2009 Sensors and Actuators A

Linear-scaling self-consistent implementation of the van der Waals density functional,

Andris Gulans, Martti Puska, Risto M. Nieminen 2009 Physical Review B

Effect of the surrounding oxide on the photoabsorption spectra of Si nanocrystals

Laura Koponen, Lasse O. Tunturivuori, Martti J. Puska, Risto M. Nieminen 2009 Physical Review B

Embedding transition-metal atoms in graphene: Structure, bonding, and magnetism

A. V. Krasheninnikov, P.O. Lehtinen, A. S. Foster, P. Pyykkö, R. M. Nieminen 2009 Physical Review Letters

Vacancies in wurtzite GaN and AlN

Katri Laaksonen, Maria G. Ganchenkova, Risto M. Nieminen 2009 Journal of physics: Condensed matter

Issues in first-principles calculations for defects in semiconductors and oxides

R.M. Nieminen 2009 Modelling and Simulation in Materials Science and Engineering

Modeling charge-imbalanced NaNbO3/SrTiO3 superlattices: Lattice relaxation and metallicity

Riku Oja, Risto M. Nieminen 2009 Physical Review B

Computational study of boron nitride nanotube synthesis: How catalyst morphology stabilizes the boron nitride bond

S. Riikonen, A. S. Foster, A. V. Krasheninnikov, R. M. Nieminen 2009 Physical Review B

C20-Based Polymers: electronic and elastic properties and stability studies

Timo Vehviläinen, Maria Ganchenkova, Risto Nieminen 2009 Journal of Nanoscience and Nanotechnology

Multiscale study of hydrogen diffusion and clustering on carbon nanotube

Timo Vehviläinen, Maria Ganchenkova, Vladimir A. Borodin, Risto Nieminen 2009 Journal of Nanoscience and Nanotechnology

Density-functional molecular dynamics studies of biologically relevant iron and cobalt complexes with macrocyclic ligands

Ivan Degtyarenko, X. Biarnés, R.M. Nieminen, C. Rovira 2008 Coordination Chemistry Reviews

The aqueous and crystalline forms of L-alanine zwitterion: a density functional computational study

I.M. Degtyarenko, K.J. Jalkanen, A.A. Gurtovenko, R.M. Nieminen 2008 Journal of Computational and Theoretical Nanoscience

Evidence against the polarization rotation model of piezoelectric perovskites at the morphotropic phase boundary

J. Frantti, Y. Fujioka, R.M. Nieminen 2008 Journal of physics: Condensed matter

The effect of hydrostatic pressure on the structural and piezoelectric properties of PbTiO3.XXI IUCr Congress, 23-31 August 2008, Osaka, Japan

J. Frantti, Y. Fujioka, R.M. Nieminen 2008 Acta Crystallographica Section A: Foundations of Crystallography

Computational and experimental studies of the phase transitions of WO3.XXI IUCr Congress, 23-31 August 2008, Osaka, Japan

Y. Fujioka, J. Frantti, V. Lantto, S. Saukko, R.M. Nieminen 2008 Acta Crystallographica Section A: Foundations of Crystallography

Electronic energy band structure of the double perovskite Ba2MnWO6

Yukari Fujioka, Johannes Frantti, Risto M. Nieminen 2008 Journal of Physical Chemistry B

Modeling the compositional instability in wurtzite Ga1-x Inx N

M. G. Ganchenkova, Vladimir A. Borodin, K. Laaksonen, Risto Nieminen 2008 Physical Review B

Quasigraphite: Density functional theory based predictions of a structure and its properties

Maria Ganchenkova, Timo Vehviläinen, Risto M. Nieminen 2008 Physical Review B

Quasigraphite: Density functional theory based predictions of a structure and its properties

Maria Ganchenkova, Timo Vehviläinen, Risto M. Nieminen 2008 Virtual Journal of Nanoscale Science and Technology

Atomistic methods for the simulation of evolving surfaces

M.A. Gosalvez, Y. Xing, Kazuo Sato, R.M. Nieminen 2008 Journal of Micromechanics and Microengineering

Adsorption of metal impurities on H-terminated Si surfaces and their influence on the wet chemical etching of Si

Teemu Hynninen, Adam S. Foster, Miguel A. Gosálvez, Kazuo Sato, Risto M. Nieminen 2008 Journal of physics: Condensed matter

Effect of Cu impurities on wet etching of Si(110): formation of trapezoidal hillocks

Teemu Hynninen, Miguel A. Gosálvez, Adam S. Foster, Hiroshi Tanaka, Kazuo Sato, Makio Uwaha, Risto M. Nieminen 2008 New Journal of Physics

A configurational and conformational study of Aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies

K.J. Jalkanen, J.D. Gale, P.R. Lassen, L. Hemmingsen, I.M. Degtyarenko, R.M. Nieminen, S.B. Christensen, M. Knapp-Mohammady, S. Suhai 2008 Theoretical Chemistry Accounts

Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N '-methylamide in aqueous solution: a combined theoretical and experimental approach

K.J. Jalkanen, I.M. Degtyarenko, R.M. Nieminen, X. Cao, L.A. Nafie, F. Zhu, L.D. Barron 2008 Theoretical Chemistry Accounts

Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory

Karen Jonston, Jesper Kleis, Bengt I. Lundqvist, Risto M. Nieminen 2008 Physical Review B

Photoabsorption in sodium clusters on the basis of time-dependent density-functional theory sodium clusters

J.-O. Joswig, L.O. Tunturivuori, R.M. Nieminen 2008 Journal of Chemical Physics

Photoabsorption spectra of small fullerenes and Si-heterofullerenes

Laura Koponen, Martti J. Puska, Risto M. Nieminen 2008 Journal of Chemical Physics

Nitrogen interstitial defects in GaAs

K. Laaksonen, H.P. Komsa, Tapio T. Rantala, R.M. Nieminen 2008 Journal of physics: Condensed matter

Computational study of (111) epitaxially strained ferroelectric perovskites BaTiO3 and PbTiO3

Riku Oja, Karen Johnston, Johannes Frantti, Risto M. Nieminen 2008 Physical Review B

Creation of paired electron states in the gap of semiconducting carbon nanotubes by correlated hydrogen adsorption

Gilles Buchs, Arkady V Krasheninnikov, Pascal Ruffieux, Pierangelo Gröning, Adam S Foster, Risto M Nieminen, Oliver Gröning 2007 New Journal of Physics

L-alanine in a droplet of water: a density-functional molecular dynamics study

I.M. Degtyarenko, K.J. Jalkanen, A.A. Gurtovenko, R.M. Nieminen 2007 Journal of Physical Chemistry B

First-principles calculations of Cu adsorption on an H-terminated Si surface

A. S. Foster, M.A. Gosálvez, T. Hynninen, R. M. Nieminen, Kazuo Sato 2007 Physical Review B

Pressure-Induced Phase Transitions in PbTiO3 : A Query for the Polarization Rotation Theory

J. Frantti, Y. Fujioka, R.M. Nieminen 2007 Journal of Physical Chemistry B

An atomistic introduction to anisotropic etching

M.A. Gosálvez, Kazuo Sato, A S Foster, R M Nieminen, H. Tanaka 2007 Journal of Micromechanics and Microengineering

Faster simulations of step bunching during anisotropic etching: formation of zigzag structures on Si(110)

M.A. Gosálvez, Y. Xing, T. Hynninen, M. Uwaha, A. S. Foster, R. M. Nieminen, Kazuo Sato 2007 Journal of Micromechanics and Microengineering

Polymer adhesion

Karen Johnston, Risto M. Nieminen 2007 Physical Review B

Photoabsorption spectra of boron nitride fullerene-like structures

Laura Koponen, L. Tunturivuori, Martti Puska, R.M. Nieminen 2007 Journal of Chemical Physics

Comment on "Paired Gap states in a Semiconducting Carbon Nanotube: Deep and Shallow Levels"

A. V. Krasheninnikov, A. S. Foster, R. M. Nieminen 2007 Physical Review Letters

Electronic band structure of InxGa1-xN under pressure

K. Laaksonen, I. Gorczyca, N.E. Christensen, A. Svane, R.M. Nieminen 2007 Acta Physica Polonica A

The effect of interstitial hydrogen on the electronic structure of the B2 FeAl alloy

R.M. Nieminen, E.A. Gonzalez, P.V. Jasen, G. Brizuela, A. Juan 2007 Physica Status Solidi B

Structure and dynamics of dioxygen bound to cobalt and iron heme

I. Degtyarenko, R.M. Nieminen, C. Rovira 2006 Biophysical Journal

Nitrogen vacancies as major point defects in gallium nitride

M. G. Ganchenkova, Risto Nieminen 2006 Physical Review Letters

Simulation of the response of divacancy and As-V complex in silicon to external elastic strains

M.G. Ganchenkova, S. Nicolaysen, V.A. Borodin, R.M. Nieminen 2006 Physica B

Stress induced anisotropy of vacancy interaction and clustering in uniaxially loaded Si monocrystal

M.G. Ganchenkova, S. Nicolaysen, V.A. Borodin, E. Halvorsen, R.M. Nieminen 2006 Materials Science and Engineering B

Apparent activation energy during surface evolution by step formation and flow

M.A. Gosálvez, D. Cheng, Risto Nieminen, Kazuo Sato 2006 New Journal of Physics

Interfacial oxide growth in silicon/high-k oxide interfaces: First principles modeling of the Si-HfO₂ interface

M. H. Hakala, A. S. Foster, J.L. Gavartin, P. Havu, M. J. Puska, R. M. Nieminen 2006 Journal of Applied Physics

Finite-element implementation for electron transport in nanostructures

P. Havu, V. Havu, M.J. Puska, M. H. Hakala, A. S. Foster, R. M. Nieminen 2006 Journal of Chemical Physics

Far-infrared spectra of lateral quantum dot molecules

Meri Helle, A. Harju, R.M. Nieminen 2006 New Journal of Physics

The use of vibrational spectroscopies to study protein and DNA structure, hydration, and binding of biomolecules: a combined theoretical and experimental approach

Karl James Jalkanen, V. Wuertz-Juergensen, A. Claussen, A. Rahim, G.M. Jensen, R.C. Wade, F. Nardi, C. Jung, Ivan Degtyarenko, Risto Nieminen, F. Herrmann, M. Knapp-Mohammady, T.A. Niehaus, K. Frimand, S. Suhai 2006 International Journal of Quantum Chemistry

Bending the rules: contrasting vacancy energetics and migration in graphite and carbon nanotubes

A. V. Krasheninnikov, P.O. Lehtinen, A. S. Foster, R. M. Nieminen 2006 Chemical Physics Letters

Computational study of GaAsN and GaNAs alloys and arsenic impurities in GaN

K. Laaksonen, H.P. Komsa, Eero Arola, T.T. Rantala, R.M. Nieminen 2006 Journal of physics: Condensed matter

Minor component ordering in wurtzite GaInN and GaAlN

K. Laaksonen, M.G. Ganchenkova, R.M. Nieminen 2006 Physica B

Substitutional copper and monovacancies in silicon

C.D. Latham, M.G. Ganchenkova, R.M. Nieminen, S. Nicolaysen, M. Alatalo, S. Öberg, P.R. Briddon 2006 Physica Scripta

The Magnetic Nature of Intrinsic and Irradiation-induced Defects in Carbon Systems

P. O. Lehtinen, A. V. Krasheninnikov, A. S. Foster, R. M. Nieminen 2006 Carbon Based Magnetism

Nitrogen-doped carbon nanotubes under electron irradiation simulated with a tight-binding model

T. Loponen, A. V. Krasheninnikov, M. Kaukonen, Risto Nieminen 2006 Physical Review B

Modeling the silicon-hafnia interface

R. M. Nieminen, M. H. Hakala, A. S. Foster 2006 MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Supercell methods for defect calculations

Risto M. Nieminen 2006 Theory of Defects in Semiconductors

High-resolution scanning force microscopy of gold nanoclusters on the KBr (001) surface

O. H. Pakarinen, C. Barth, A. S. Foster, R. M. Nieminen, C. R. Henry 2006 Physical Review B

Charging mechanism for the bond elongation observed in suspended chains of gold atoms

Andres Ayuela, Martti Puska, Risto Nieminen, J.A. Alonso 2005 Physical Review B

Probing organic layers on the TiO₂(110) surface

A. S. Foster, A.Y. Gal, R. M. Nieminen, A.L. Shluger 2005 Journal of Physical Chemistry

Annealing of vacancy complexes in P-doped silicon

Maria Ganchenkova, V.A. Borodin, Risto Nieminen 2005 Nuclear Instruments and Methods B

Mechanism of diffusion and dissociation of E-center in silicon

M. Ganchenkova, V. Borodin, R.M. Nieminen 2005 Defect and Diffusion Forum

The effect of compound composition and strain on vacancies in Si/SiGe heterostructures

M.G. Ganchenkova, S. Nicolaysen, V.A. Borodin, R.M. Nieminen 2005 Solid State Phenomena

Arrhenius and non-Arrhenius behavior during anisotropic etching

M.A. Gosalvez, Risto Nieminen, Kazuo Sato 2005 Sensors and Materials

Electron emission from solids under electron irradiation: A Monte Carlo study

Mikko Hakala, C. Corbel, Risto Nieminen 2005 Journal of Physics D - Applied Physics

Spin dependent electron transport through a magnetic resonant tunneling diode

P. Havu, N. Tuomisto, R. Väänänen, M.J. Puska, R.M. Nieminen 2005 Physical Review B

Two-electron lateral quantum-dot molecules in a magnetic field

Meri Helle, A. Harju, R.M. Nieminen 2005 Physical Review B

Measuring site-specific cluster-surface bond formation.

R. Hoffmann, Clemens Barth, Adam S. Foster, Alexander L. Shluger, Hans J. Hug, Hans-Joachim Güntherodt, Risto M. Nieminen, Michael Reichling 2005 Journal of the American Chemical Society

Density-functional study of oxygen adsorption on Mo(112)

Adam Kiejna, Risto Nieminen 2005 Journal of Chemical Physics

B and N ion implantation into carbonnanotubes: Insight from atomistic simulations

J. Kotakoski, A. V. Krasheninnikov, Yuchen Ma, A. S. Foster, K. Nordlund, R. M. Nieminen 2005 Physical Review B

Stability of carbon nanotubes under electron irradiation: the role of tube diameter and chirality

A. V. Krasheninnikov, F. Banhart, J.X. Li, A. S. Foster, R. M. Nieminen 2005 Physical Review B

Level anticrossings in quantum dots

J. Könemann, E. Räsänen, M. J. Puska, R. M. Nieminen, R. J. Haug 2005 Physics of Semiconductors, Parts A and B

Passivation of copper in silicon by hydrogen

Christopher D. Latham, Matti Alatalo, Risto M. Nieminen, R. Jones, S. Öberg, P.R. Briddon 2005 Physical Review B

Hydrogen-induced magnetism in carbon nanotubes

Yuchen Ma, P.O. Lehtinen, A. S. Foster, R. M. Nieminen 2005 Physical Review B

Nitrogen in graphite and carbon nanotubes: Magnetism and mobility

Yuchen Ma, A. S. Foster, A. V. Krasheninnikov, R. M. Nieminen 2005 Physical Review B

Reactions and clustering of water with silica surface

Yuchen Ma, A. S. Foster, R. M. Nieminen 2005 Journal of Chemical Physics

Singlet-triplet oscillations and far-infrared spectrum of four-minima quantum-dot molecule

Mari Marlo-Helle, Ari Harju, Risto M. Nieminen 2005 PHYSICA E: LOW: DIMENSIONAL SYSTEMS AND NANOSTRUCTURES

Formation of vacancies and divacancies in plane-stressed silicon

S. Nicolaysen, M.G. Ganchenkova, R.M. Nieminen 2005 Solid State Phenomena

Towards an accurate description of the capillary force in nanoparticle-surface interactions

O.H. Pakarinen, A. S. Foster, M. Paajanen, T. Kalinainen, J. Katainen, I. Makkonen, J. Lahtinen, R. M. Nieminen 2005 Modelling and Simulation in Materials Science and Engineering

Clustering of Mn in (Ga,Mn)As

Hannes Raebiger, Andres Ayuela, Juhani von Boehm, Risto Nieminen 2005 Journal of Magnetism and Magnetic Materials

Electronic and magnetic properties of magnetic semiconductors

H. Raebiger, T. Hynninen, M. Ganchenkova, J. von Boehm, A. Ayuela, R.M. Nieminen 2005 CSC Report on Scientific Computing in Finland

Characterization of deformed quantum dots by modeling single-electron-tunneling experiments

Esa Räsänen, J. Könemann, R.J. Haug, Martti Puska, Risto Nieminen 2005 PHYSICA E: LOW: DIMENSIONAL SYSTEMS AND NANOSTRUCTURES

Vortex formation in quantum dots in high magnetic fields

Henri Saarikoski, Ari Harju, Martti Puska, Risto Nieminen 2005 PHYSICA E: LOW: DIMENSIONAL SYSTEMS AND NANOSTRUCTURES

Density-functional calculations of defect formation energies using supercell methods

Jihye Shim, Eok Kyun Lee, Y. -J. Lee, Risto Nieminen 2005 Physical Review B

Density-functional calculations of defect formation energies using the supercell method-Brilliouin-zone sampling.

J. Shim, E.K. Lee, Young Joo Lee, Risto Nieminen 2005 Physical Review B

Diagonalizations on a correlated basis

S. Siljamäki, A. Harju, E. Räsänen, J. Suorsa, R.M. Nieminen 2005 Physica E

Agglomeration of As-antisites in As-rich low-temperature GaAs: nucleation without a critical nucleus size

Torsten E.M. Staab, Risto M. Nieminen, M. Luysberg, Th. Frauenheim 2005 Physical Review Letters

Magnetically driven shape-memory alloys

Jussi Enkovaara, Andres Ayuela, A. Zayak, P. Entel, Lars Nordström, Martin Dube, Jari Jalkanen, J. Imppola, Risto Nieminen 2004 Materials Science and Engineering A

Adsorption of acetic and trifluoroacetic acid on the TiO2 (110) surface

A. S. Foster, R. M. Nieminen 2004 Journal of Chemical Physics

Interaction of silicon dangling bonds with insulating surfaces

A. S. Foster, A.Y. Gal, J.D. Gale, Young-joo Lee, R. M. Nieminen, A. L. Shluger 2004 Physical Review Letters

Realistic model tips in simulations of nc-AFM

A. S. Foster, A. L. Shluger, R. M. Nieminen 2004 Nanotechnology

Electronic structure of the phosphorous-vacancy complex in silicon: a resonant-bond model

Maria G. Ganchenkova, A.Yu. Kuznetsov, Risto M. Nieminen 2004 Physical Review B

Target-rate kinetic Monte Carlo method for simulation of nanoscale structural evolution

Miguel A. Gosalvez, Risto Nieminen 2004 Journal of Computational and Theoretical Nanoscience

Broken symmetry in density-functional theory: Analysis and cure

A. Harju, E. Räsänen, H. Saarikoski, M.J. Puska, R.M. Nieminen, K. Niemelä 2004 Physical Review B

Electron transport through quantum wires and point contacts

P Havu, M.J. Puska, R.M. Nieminen, V. Havu 2004 Physical Review B

Non-Equilibrium Electron Transport in Two-Dimensional Nano-Structures Modeled by Green's Functions and the Finite-Element-Method

P. Havu, V. Havu, M.J. Puska, R.M. Nieminen 2004 Physical Review B

Nonequilibrium electron transport in two-dimensional nanostructures modeled using Green's functions and the finite-element method

P. Havu, V. Havu, M. J. Puska, R. M. Nieminen 2004 Physical Review B

Energetics of Sr adatom interactions on the Mo(112) surface

Adam Kiejna, Risto M. Nieminen 2004 Physical Review B

Adsorption and migration of carbon adatoms on carbon nanotubes

A. V. Krasheninnikov, K. Nordlund, P.O. Lehtinen, A. S. Foster, A. Ayuela, R. M. Nieminen 2004 Physical Review B

Adsorption and migration of carbon adatoms on zigzag carbon nanotubes

A. V. Krasheninnikov, K. Nordlund, P.O. Lehtinen, A. S. Foster, A. Ayuela, R. M. Nieminen 2004 Carbon

Electron transport through monovalent atomic wires

Y. J. Lee, M. Brandbyge, Martti Puska, J. Taylor, K. Stokbro, Risto Nieminen 2004 Physical Review B

Irradiation-induced magnetism in graphite: a density functional study

P.O. Lehtinen, A. S. Foster, Yuchen Ma, A. V. Krasheninnikov, R. M. Nieminen 2004 Physical Review Letters

Structure and magnetic properties of adatoms on carbon nanotubes

P.O. Lehtinen, A. S. Foster, A. Ayuela, T.T. Vehviläinen, R. M. Nieminen 2004 Physical Review B

Self-interstitials in 3C-SiC

Juha Lento, Leena Torpo, Torsten E.M. Staab, Risto Nieminen 2004 Journal of physics: Condensed matter

Magnetic properties of vacancies in graphene and single-walled carbon nanotubes

Yuchen Ma, P.O. Lehtinen, A S Foster, R. M. Nieminen 2004 New Journal of Physics

Ab initio study of γ−Al2O3 surfaces

Henry Pinto, Risto M. Nieminen, S.D. Eliot 2004 Physical Review B

Intrinsic hole localization mechanism in magnetic semiconductors

H. Raebiger, A. Ayuela, R.M. Nieminen 2004 Journal of physics: Condensed matter

Impurity effects in quantum dots: Toward quantitative modeling

E. Räsänen, J. Könemann, R.J. Haug, M.J. Puska, R.M. Nieminen 2004 Physical Review B

Maximum-density-droplet formation in hard-wall quantum dots

E. Räsänen, M.J. Puska, R.M. Nieminen 2004 PHYSICA E: LOW: DIMENSIONAL SYSTEMS AND NANOSTRUCTURES

Rectangular quantum dots in high magnetic fields

Esa Räsänen, Ari Harju, Martti Puska, Risto M. Nieminen 2004 Physical Review B

Vortex Clusters in Quantum Dots

H. Saarikoski, A. Harju, M.J. Puska, R.M. Nieminen 2004 Physical Review Letters

Concerning the origin of superstructures in hydrogen molybdenum bronzes H_x_M_o_O3

D.A. Scherlis, Young Joo Lee, C. Rovira, S. Adams, Risto M. Nieminen, P. Ordejon, E. Canadell 2004 Solid State Ionics

MIKA - a multigrid-based program package for electronic structure calculations

T. Torsti, V. Lindberg, I. Makkonen, E. Ogando, E. Räsänen, H. Saarikoski, M.J. Puska, R.M. Nieminen 2004 Psi_k Newsletter, Highlight of the month

Properties of intrinsic di-interstitials in GaAs.

G. Zollo, Young Joo Lee, Risto M. Nieminen 2004 Journal of physics: Condensed matter

Reliability of analytical potentials for point-defect simulation in GaAs

G. Zollo, Jura Tarus, Risto M. Nieminen 2004 Journal of physics: Condensed matter

Coexistence of ferro- and antiferromagnetic order in Mn-doped Ni₂MnGa

Jussi Enkovaara, O. Heczko, Andres Ayuela, Risto Nieminen 2003 Physical Review B

Coexistence of ferromagnetic and antiferromagnetic order in Mn-doped Ni2MnGa

J. Enkovaara, O. Heczko, A. Ayuela, Risto Nieminen 2003 Physical Review B

First-principles calculation of spin spirals in Ni₂MnAl and Ni₂MnGa

Jussi Enkovaara, Andrés Ayuela, Jari Jalkanen, Risto M. Nieminen, Lars Nordström 2003 Physical Review B

Dependence of the tip-surface interaction on the surface electronic structure

A. S. Foster, A.Y. Gal, Y.J. Lee, A. L. Shluger, R. M. Nieminen 2003 Applied Surface Science

Simulating atomic force microscopy imaging of the ideal and defected TiO₂ (110) surface

A. S. Foster, O.H. Pakarinen, J.M. Airaksinen, J.D. Gale, R. M. Nieminen 2003 Physical Review B

Towards chemical identification in atomic-resolution noncontact AFM imaging with silicon tips

A. S. Foster, A.Y. Gal, J.M. Airaksinen, O.H. Pakarinen, Y.J. Lee, J.D. Gale, A. L. Shluger, R. M. Nieminen 2003 Physical Review B

Characterization of the unoccupied and partially occupied states of TTF-TCNQ by XANES and first-principles calculations

J. Fraxedas, Y.-J. Lee, I. Jimenez, R. Gago, R.M. Nieminen, P. Ordejon, E. Canadell 2003 Physical Review B

Relation between macroscopic and microscopic activation energies in non-equilibrium surface processing

M.A. Gosalvez, R.M. Nieminen 2003 Physical Review E

Surface morphology during anisotropic wet chemical etching of crystalline silicon

M.A. Gosalvez, R.M. Nieminen 2003 New Journal of Physics

Dependence of the Anisotropy of Wet Chemical Etching of Silicon on the Amount of Surface Coverage by OH Radicals

Miguel A. Gosálvez, Adam S. Foster, Risto M. Nieminen 2003 Sensors and Materials

Simulations and analysis of the Raman scattering spectra of amino acids, peptides and proteins in agueous solutions

Karl J. Jalkanen, Risto M. Nieminen, J. Bohr 2003 Vestnik Moskovskogo Universitata

Vibrational analysis of various isotopomers of L-alanyl-L-alanine in aqueous solution

Karl J. Jalkanen, Risto M. Nieminen, M. Knapp-Mohammady, S. Suhai 2003 International Journal of Quantum Chemistry

Calculated properties of nitrogen-vacancy complexes in beryllium- and magnesium-doped GaN

Christopher D. Latham, R. Jones, S. Öberg, Risto M. Nieminen, P.R. Briddon 2003 Physical Review B

Calculated properties of point defects in Be-doped GaN

Christopher D. Latham, Risto M. Nieminen, C.D. Fall, R. Jones, S. Öberg, P.R. Briddon 2003 Physical Review B

Comparison of oxygen-chain models for late thermal double donors in silicon

Y. -J. Lee, J. von Boehm, M. Pesola, Risto Nieminen 2003 Applied Physics Letters

First-principles characterization of the electronic structure of the molecular superconductor beta-(BEDT-TTF)2IBr2

Y. -J. Lee, R.M. Nieminen, P. Ordejon, E. Canadell 2003 Physical Review B

Oxygen chain models for thermal double donors in silicon

Y.-J. Lee, Juhani von Boehm, M. Pesola, R.M. Nieminen 2003 Applied Physics Letters

Magnetic properties and diffusion of adatoms on a graphene sheet

Petri O. Lehtinen, A. S. Foster, A. Ayuela, A. Krasheninnikov, K. Nordlund, R. M. Nieminen 2003 Physical Review Letters

Non-local screened-exchange calculations for defects in semiconductors: vacancy in silicon

Juha Lento, Risto M. Nieminen 2003 Journal of physics: Condensed matter

Role of interactions in the far-infrared spectrum of a lateral quantum dot molecule

Meri Marlo, A. Harju, R.M. Nieminen 2003 Physical Review Letters

Great influences in a small country

Risto Nieminen 2003 Festschrift für Walter Kohn

Electronic structure calculations for 2-D quantum dots and laterally coupled quantum dot molecules in magnetic fields

M.J. Puska, R.M. Nieminen 2003 International Journal of Quantum Chemistry

Electronic structure of rectangular quantum dots

Esa Räsänen, H. Saarikoski, V.N. Stavrou, A. Harju, M.J. Puska, R.M. Nieminen 2003 Physical Review B

Wigner molecules in polygonal quantum dots: A density-functional study

Esa Räsänen, H. Saarikoski, M.J. Puska, R.M. Nieminen 2003 Physical Review B

Testing of two-dimensional local approximations in the current-spin and spin-density-functional theories

H. Saarikoski, E. Räsänen, S. Siljamäki, A. Harju, M. Puska, R. Nieminen 2003 Physical Review B

Strain relaxation in LT-GaAs by the agglomeration of As antisites

Torsten E.M. Staab, Risto M. Nieminen, M. Luysberg, J. Gebauer, T. Frauenheim 2003 Physica B - Condensed Matter

MIKA: Multigrid‐based program package for electronic structure calculations

Tuomas Torsti, M. Heiskanen, M.J. Puska, R.M. Nieminen 2003 International Journal of Quantum Chemistry

First-principles investigation of phonon softenings and lattice instabilities in the shape-memory system Ni₂MnGa

A.T. Zayak, Jussi Enkovaara, Andres Ayuela, Risto M. Nieminen 2003 Physical Review B

First-principles investigations of homogeneous lattice-distortive strain and shuffles in Ni2MnGa

A.T. Zayak, P. Entel, J. Enkovaara, A. Ayuela, R.M. Nieminen 2003 Journal of physics: Condensed matter

Small self-interstitial clusters in GaAs

Giuseppe Zollo, Risto M. Nieminen 2003 Journal of physics: Condensed matter

The VA and VCD Spectra of Various Isotopomers of L-alanine in Aqueous Solution

Salim Abdali, K.J. Jalkanen, H. Bohr, R.M. Nieminen, S. Suhai 2002 Chemical Physics

Properties of small carbon clusters inside the C₆₀ fullerene

R. Astala, M. Kaukonen, Risto Nieminen, G. Jungnickel, T. Frauenheim 2002 Physical Review B

Ab-initio study of tetragonal variants in Ni2MnGa alloy

A. Ayuela, J. Enkovaara, R.M. Nieminen 2002 Journal of physics: Condensed matter

Spontaneous magnetization of aluminum nanowires deposited on the NaCl(100) surface

A. Ayuela, H. Raebiger, M.J. Puska, R.M. Nieminen 2002 Physical Review B

Magnetic anisotropy in Ni2MnGa

J. Enkovaara, Lars Nordström, R.M Nieminen 2002 Physical Review B

Structural, thermal and magnetic properties of Ni2MnGa

J. Enkovaara, Lars Nordström, R.M Nieminen 2002 Journal of Applied Physics

Mechanism of interstitial oxygen diffusion in hafnia

A. S. Foster, A. L. Shluger, R. M. Nieminen 2002 Physical Review Letters

Modelling of Point Defects in Monoclinic Zirconia

A. S. Foster, V.B. Sulimov, F. Lopez Gejo, A. L. Shluger, R. M. Nieminen 2002 Journal of Non-Crystalline Solids

Quantitative modelling in Scanning Force Microscopy on Insulators

Adam S. Foster, Alexander L. Shluger, Risto M. Nieminen 2002 Applied Surface Science

Role of tip structure and surface relaxation in atomic resolution dynamic force microscopy: CaF2 (111) as a reference surface

Adam S. Foster, Clemens Barth, Alexander L. Shluger, Risto M. Nieminen, M. Reichling 2002 Physical Review B (Condensed Matter and Materials Physics)

Vacancy and interstitial defects in hafnia

A. S. Foster, F. Lopez Gejo, A. L. Shluger, R. M. Nieminen 2002 Physical Review B

Atomistic simulations of surface coverage effects in anisotropic wet chemical etching of crystalline silicon

M.A. Gosálvez, A. S. Foster, R. M. Nieminen 2002 Applied Surface Science

Atomistic simulations of surface coverage effects in anisotropic wet chemical etching of crystalline silicon

Miguel Gosálvez, Adam Foster, Risto Nieminen 2002 3rd Workshop on Physical Chemistry of Wet Etching of Silicon, Nara, Japan, June 4-6, 2002

Multiscale modeling of anisotropic wet chemical etching of crystalline silicon

M.A. Gosálvez, A. S. Foster, R. M. Nieminen 2002 Europhysics Letters

Native defects and self-diffusion in GaSb

M. Hakala, M.J. Puska, R.M. Nieminen 2002 Journal of Applied Physics

Two-electron quantum dot molecule: Composite particles and the spin phase diagram

A. Harju, S. Siljamäki, R.M. Nieminen 2002 Physical Review Letters

Wigner molecules in quantum dots: a quantum Monte Carlo study

A. Harju, S. Siljamäki, R.M. Nieminen 2002 Physical Review B

Conductance oscillations in metallic nanocontacts

Paula Havu, T. Torsti, M.J. Puska, R.M. Nieminen 2002 Physical Review B

First-principles calculation of Li adatom structures on the Mo(112) surface

A. Kiejna, R.M. Nieminen 2002 Physical Review B

First-principles study of migration, restructuring and dissociation energies of oxygen complexes in silicon

Y.-J. Lee, J. von Boehm, M. Pesola, R.M. Nieminen 2002 Physical Review B

Local vibrations of thermal double donors in silicon

Y.-J. Lee, M. Pesola, J. von Boehm, R.M. Nieminen 2002 Physical Review B

Simulation of the kinetics of oxygen complexes in crystalline silicon

Young Joo Lee, J. von Boehm, Risto Nieminen 2002 Physical Review B

Charged point defects in semiconductors and the supercell approximation

J. Lento, J.-L. Mozos, R.M. Nieminen 2002 Journal of physics: Condensed matter

Lateral diatomic two-dimensional artificial molecules: Classical transitions and quantum-mechanical counterparts

Meri Marlo, M. Alatalo, A. Harju, R.M. Nieminen 2002 Physical Review B

SCC-TB, DFT/B3LYP, MP2, AM1, PM3 and RHF study of ethylene oxide and propylene oxide structures, VA and VCD spectra

Risto Nieminen, Kenneth Frimand, Karl J. Jalkanen 2002 Chemical Physics

Density-functional study of DX centers in CdF_(2)

H. Pinto, R.M. Nieminen 2002 Computational Materials Science

Electronic properties of model quantum-dot structures in zero and finite magnetic fields

H. Saarikoski, E. Räsänen, S. Siljamäki, Ari Harju, M.J. Puska, R.M. Nieminen 2002 European Physical Journal B

Various spin-polarization states beyond the maximum-density droplet: a quantum Monte Carlo study

S. Siljamäki, A. Harju, R.M. Nieminen, V.A. Sverdlov, P. Hyvönen 2002 Physical Review B

Divacancy in 3C- and 4H-SiC

Leena Torpo, T.E.M. Staab, Risto Nieminen 2002 Physical Review B

Electronic structure and prediction of magnetism in metallic nanowires

N. Zabala, M.J. Puska, A. Ayuela, H. Raebiger, R.M. Nieminen 2002 Journal of Magnetism and Magnetic Materials

Simulations of diamond nucleation in carbon fullerene cores

R. Astala, M. Kaukonen, R.M. Nieminen, G. Jungnickel, Th. Frauenheim 2001 Physical Review B

Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N′-methyl amide conformational states

H.G. Bohr, K. Frimand, K.J. Jalkanen, R.M. Nieminen 2001 Physical Review E

Theoretical determination of the vibrational absorption and Raman spectra of 3-methylindole and 3-methylindole radicals

S.W. Bunte, G.M. Jensen, K.L. McNesby, D.G. Goodin, C.F. Chabalowski, R.M. Nieminen, S. Suhai, K.J. Jalkanen 2001 Chemical Physics

Structure and electrical levels of point defects in monoclinic zirconia

A. S. Foster, V.B. Sulimov, F. Lopez Gejo, A. L. Shluger, R. M. Nieminen 2001 Physical Review B

Anisotropic wet chemical etching of crystalline silicon: atomistic Monte-Carlo simulations and experiments

Miguel A. Gosalvez, Risto Nieminen, P. Kilpinen, Eero Haimi, Veikko K. Lindroos 2001 Applied Surface Science

Multigrid method for electronic structure calculations

M. Heiskanen, M.J. Puska, R.M. Nieminen 2001 Physical Review B

A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of L-alanine

K.J. Jalkanen, R.M. Nieminen, K. Frimand, J. Bohr, H. Bohr, R.C. Wade, E. Tajkhorshid, S. Suhai 2001 Chemical Physics

Silicon self-diffusion constants by tight-binding molecular dynamics

Anna Jääskeläinen, Luciano Colombo, Risto Nieminen 2001 Physical Review B

Aggregation Kinetics of Thermal Double Donors in Silicon

Y.-J. Lee, Juhani von Boehm, M. Pesola, R.M. Nieminen 2001 Physical Review Letters

Effect of potential energy distribution on the melting of clusters

Y.-J. Lee, E.-K Lee, R.M. Nieminen 2001 Physical Review Letters

First-Principles Simulation of Thermal Double Donors in Silicon

Y.J. Lee, M. Pesola, J. von Boehm, R.M. Nieminen 2001

Formation Kinetics of Thermal Double Donors in Silicon

Y.J. Lee, J. von Boehm, R.M. Nieminen 2001 XXXV Annual Conference of the Finnish Physical Society, March, 22-24, 2001

Interstitial oxygen loss and the formation of thermal double donors in Si

Y.-J. Lee, J. von Boehm, R.M. Nieminen 2001 Applied Physics Letters

Calculated positron annihilation parameters for defects on SiC

T. Staab, L.M. Torpo, M.J. Puska, R.M. Nieminen 2001 Materials Science Forum

Do arsenic interstitials really exist in As-rich GaAs?

T.E.M. Staab, Risto Nieminen, J. Gebauer, R. Krause-Rehberg, M. Luysberg, M. Haugk, Th. Frauenheim 2001 Physical Review Letters

Growth of (110) diamond using pure dicarbon

M. Sternberg, M. Kaukonen, R.M. Nieminen, Th. Frauenheim 2001 Physical Review B

Comprehensive ab initio study of properties of monovacancies and antisites in 4H-SiC

L. Torpo, M. Marlo, T. Staab, R.M. Nieminen 2001 Journal of physics: Condensed matter

Nanoidentation of silicon surfaces: Molecular-dynamics simulations of atomic force microscopy

R. Astala, M. Kaukonen, R.M. Nieminen, T. Heine 2000 Physical Review B

Interlayer coupling at Co/Si sandwich structures

J. Enkovaara, A. Ayuela, R.M. Nieminen 2000 Physical Review B

First-principles calculations of interstitial boron in silicon

M. Hakala, M.J. Puska, R.M. Nieminen 2000 Physical Review B

Simulations and analysis of the Raman scattering and differential Raman scattering/Raman optical activity (ROA) spectra of amino acids, peptides and proteins in aqueous solution

K.J. Jalkanen, R.M. Nieminen, J. Bohr 2000 Vestnik Moskovskogo Universiteta Khimiya

Atomic-scale modeling of the ion-beam-induced growth of amorphous carbon

M. Kaukonen, R.M. Nieminen 2000 Physical Review B

Locally activated Monte Carlo method for long-time-scale simulations

M. Kaukonen, J. Peräjoki, R.M. Nieminen 2000 Physical Review

Density functional theoretic total energy calculations and kinetic simulation on the formation of thermal double donors in silicon

Y.-J. Lee, J. von Boehm, M. Pesola, R.M. Nieminen 2000

Electronic structure of thermal double donors in silicon crystal

Y.-J. Lee, J. von Boehm, R.M. Nieminen 2000

Modeling p-conjugated conducting polymers with density-functional theory

O.P. Lehtonen, O.T. Ikkala, R.M Nieminen 2000

Vacancies in SiGe: Jahn-Teller distortion and spin effects

J. Lento, M. Pesola, J.-L. Mozos, Risto Nieminen 2000 Applied Physics Letters

First-principles simulation of oxygen defects in silicon

R.M. Nieminen, M. Pesola, Y.-J. Lee 2000 Computer Simulation Studies in Condensed Matter Physics XIII

From number crunching to virtual reality: mathematics, physics and computation

R.M Nieminen 2000 Mathematics Unlimited 2001 and Beyond

Oxygen-related defects in Si and GaAs

M. Pesola, Y.-J. Lee, R.M. Nieminen, J. von Boehm 2000 PSIK-2000 Conference, Schwäbisch Gmund, 22-26 August 2000,

Structures of thermal double donors in silicon

Marko Pesola, Y.-J. Lee, Juhani von Boehm, Markus Kaukonen, R.M. Nieminen 2000

Structures of Thermal Double Donors in Silicon

Marko Pesola, Y.-J. Lee, Juhani von Boehm, M. Kaukonen, R.M. Nieminen 2000 Physical Review Letters

Stability of the maximum-density droplet state in quantum dots: a quantum Monte Carlo study

S. Siljamäki, V.A. Sverdlov, A. Harju, P. Hyvönen, R.M. Nieminen 2000 Physica B: Condensed Matter

Structural properties of magnetic Heusler alloys

A. Ayuela, J. Enkovaara, K. Ullakko, R.M. Nieminen 1999 Journal of physics: Condensed matter

First-principles calculations of positron annihilation in solids

B. Barbiellini, M. Hakala, R.M. Nieminen, M.J. Puska 1999 OPTICAL PROPERTIES OF MATERIALS

Theoretical studies of interstitial boron defects in silicon

M. Hakala, M.J. Puska, R.M. Nieminen 1999

Theoretical studies of interstitial boron defects in silicon

Mikko Hakala, M. J. Puska, R. M. Nieminen 1999 Physica B: Condensed Matter

Many-body wave function for a quantum dot in a weak magnetic field

A. Harju, V.A. Sverdlov, R.M. Nieminen, V. Halonen 1999 Physical Review B

Wave function for quantum-dot ground states beyond the maximum-density droplet

A. Harju, S. Siljamäki, R.M. Nieminen 1999 Physical Review B

Nitrogen doping of amorphous carbon surfaces

M. Kaukonen, R.M. Nieminen, S. Pöykkö, A.P. Seitsonen 1999 Physical Review Letters

Self interstitials in c-Si: structure and migration mechanisms

J.-L. Mozos, R.M. Nieminen 1999 Properties of Crystalline Silicon, EMIS Datareviews Series No. 20

Developments in the density-functional theory of electronic structure

R. Nieminen 1999 Current Opinion in Solid State and Materials Science

Modelling of microelectromechanical systems (MEMS)- theoretical and computational challenges

Risto Nieminen, J. Järvinen, P. Råback 1999 12th Nordic Symposium on Computational Mechanics, Otaniemi, Espoo, 22.-24.2.1999

Vacancy defects in c-Si: electronic and ionic structures

R.M. Nieminen, M.J. Puska 1999 Properties of Crystalline Silicon, EMIS Datareviews Series No. 20

Computational study of interstitial oxygen and vacancy-oxygen complexes in silicon

M. Pesola, J. von Boehm, T. Mattila, R.M. Nieminen 1999 Physical Review B

Computational study of interstitial oxygen and vacancy-oxygen complexes in silicon

M. Pesola, J. von Boehm, T. Mattila, R.M. Nieminen 1999 APS 1999 Centennial Meeting, Atlanta, USA

Computational Total Energy Study of Oxygen Complexes in Silicon

M. Pesola, J. von Boehm, T. Mattila, R.M. Nieminen 1999 XXXIII Annual Conference of the Finnish Physical Society, Turku (Finland)

Microscopic structure of oxygen defects in gallium arsenide

Marko Pesola, Juhani von Boehm, V. Sammalkorpi, T. Mattila, R.M. Nieminen 1999 Physical Review B

Vibrations of the interstitial oxygen pairs and the interstitial oxygen in silicon

M. Pesola, J. von Boehm, R.M. Nieminen 1999

Vibrations of the interstitial oxygen pairs in silicon

M. Pesola, J. von Boehm, R.M. Nieminen 1999 Physical Review Letters

A practical model for estimating the growth rate in sublimation growth of SiC

P. Råback, R. Yakimova, M. Syväjärvi, R.M. Nieminen, Erik Janzen 1999 Materials Science and Engineering B

Energetics and diffusion of Ga and As adatoms on flat and stepped GaAs(001) surfaces

M. Salmi, M. Alatalo, T. Ala-Nissila, R.M. Nieminen 1999 Surface Science

Total Energy Study of Local Vibrations of Oxygen in GaAs: Effects of Ga 3d Electrons

V. Sammalkorpi, M. Pesola, J. von Boehm, T. Mattila, R.M. Nieminen 1999

Electronic structure of the anti-structure pair in 3C-SiC

L. Torpo, R.M. Nieminen 1999 Materials Science and Engineering B

Silicon vacancy in SiC: a high-spin state defect

L. Torpo, R.M. Nieminen, K.E. Laasonen, S. Pöykkö 1999 Applied Physics Letters

Electronic structure of cylindrical simple-metal nanowires in the stabilized jellium model

N. Zabala, M.J. Puska, R.M. Nieminen 1999 Physical Review B

Reply to the comment on spontaneous magnetization of simple metal nanowires

N. Zabala, M.J. Puska, R.M. Nieminen 1999 Physical Review Letters

Nanowires: electronic and ionic structures, cohesive and transport properties

A. Ayuela, J-L. Mozos, R.M. Nieminen, M.J. Puska 1998 Newsletter of the Euro-Network for Electronic Structure Calculations

Momentum distributions of electron-positron pairs annihilating at vacancy clusters in Si

M. Hakala, M.J. Puska, R.M. Nieminen 1998 Physical Review B

Variational wave function for a quantum dot in a magnetic field: A quantum Monte Carlo study

A. Harju, V.A. Sverdlov, R.M. Nieminen 1998 Europhysics Letters

Variational wave function for a two-electron quantum dot

A. Harju, A.V. Sverdlov, B. Barbiellini, R.M. Nieminen 1998 Physica B

Effect of N and B doping on the growth of CVD diamond (100):H(2×1) surfaces

M. Kaukonen, P.K. Sitch, G. Jungnickel, R.M. Nieminen, S. Pöykkö, D. Porezag, Th. Franheim 1998 Physical Review B

Stability of molecules and clusters studied through first-principles total energy calculations

S. Mukherjee, A.P. Seitsonen, R.M. Nieminen 1998 Frontiers in Materials Modelling and Design

Computational modelling of atomic-scale defect phenomena in compound semiconductors

R.M. Nieminen, T. Mattila, S. Pöykkö 1998 Frontiers in Materials Modelling and Design

EU and Japan delegates meet to discuss cooperation

R. Nieminen 1998 Materials Today

Ion beams help diamond rise from the ashes

R.M. Nieminen 1998 Physics World

Tutkijakoulutus Suomessa ja Euroopassa

R.M. Nieminen 1998

Ab initio local vibrational frequences of oxygen defects in silicon

M. Pesola, Juhani von Boehm, T. Mattila, R.M. Nieminen 1998

Ab-initio spin-Density Pseudopotential calculation of the Local Vibrations of the Oxygen Comlexes in Silicon

M. Pesola, J. von Boehm, T. Mattila, R.M. Nieminen 1998

Ab initio spin-polarized total energy study of the silicon divacancy

M. Pesola, J. von Boehm, S. Pöykkö, R.M. Nieminen 1998

Ab initio study of oxygen complexes in silicon

M. Pesola, J. von Boehm, T. Mattila, R.M. Nieminen 1998

Ab-initio study of oxygen complexes in silicon

M. Pesola, J. von Boehm, T. Mattila, R.M. Nieminen 1998

Spin-density study of the silicon divacancy

M. Pesola, J. von Boehm, S. Pöykkö, R.M. Nieminen 1998 Physical Review B

Convergence of supercell calculations for point defects in semiconductors: Vacancy in silicon

M.J. Puska, S. Pöykkö, M. Pesola, R.M. Nieminen 1998 Physical Review B

Chlorine-impurity-related defects in ZnSe

S. Pöykkö, M.J. Puska, R.M. Nieminen 1998 Physical Review B

Nitrogen-impurity-native-defect complexes in ZnSe

S. Pöykkö, M.J. Puska, R.M. Nieminen 1998 Physical Review B

Possible n-type dopants in diamond and amorphous carbon

S. Pöykkö, M. Kaukonen, M.J. Puska, R.M. Nieminen 1998 Computational Materials Science

A coupled finite element model for the sublimation growth of SiC

P. Råback, R. Nieminen, R. Yakimova, Marko Tuominen, E. Janzén 1998 Materials Science Forum

Fracture of three-dimensional fuse networks with quenched disorder

V.I. Räisänen, M.J. Alava, R.M. Nieminen 1998 Physical Review B

Total energy study of oxygen-related LVMs in GaAs

V. Sammalkorpi, M. Pesola, J. von Boehm, R.M. Nieminen 1998

Antisites in silicon carbide

L. Torpo, S. Pöykkö, R.M. Nieminen 1998 Physical Review B

Spontaneous magnetization of simple metal nanowires

N. Zabala, M.J. Puska, R.M. Nieminen 1998 Physical Review Letters

Correlation effects for electron-positron momentum density in solids

B. Barbiellini, M. Hakala, Martti Puska, R.M. Nieminen, A.A. Manuel 1997 Physical Review B

Correlation effects for positron annihilation with core and semicore electrons

B. Barbiellini, M.J. Puska, M. Alatalo, M. Hakala, A. Harju, T. Korhonen, S. Siljamäki, T. Torsti, R.M. Nieminen 1997 Applied Surface Science

Valence-band offsets at the AlxGa0.5−xIn0.5P-ZnSe(001) lattice-matched interface

F. Benardini, R.M. Nieminen 1997 Physical Review B

Stochastic gradient approximation: An efficient method to optimize many-body wave functions

A. Harju, B. Barbiellini, S. Siljamäki, R.M. Nieminen, G. Ortiz 1997 Physical Review Letters

Dynamic relaxation of the elastic properties of hard carbon films

J. P. Hirvonen, J. Koskinen, Markus Kaukonen, R. Nieminen, H. J. Scheibe 1997 Journal of Applied Physics

Oscillatory temporal behavior in an autocatalytic surface reaction model

J-P. Hovi, A.P. Jansen, R.M. Nieminen 1997 Physical Review E

A Monte Carlo study of Co oxidation with oscillation with oscillations induced by site blocking

A.P. Jansen, R.M. Nieminen 1997 Journal of Chemical Physics

Time-dependent simulation of Czochralski silicon crystal growth

Jari Järvinen, R. Nieminen, Timo Tiihonen 1997 Journal of Crystal Growth

Band offsetts at the GaInP/GaAs heterojunction

A. Lindell, M. Pessa, A. Salokatve, F. Bernardini, R.M. Nieminen, M. Paalanen 1997 Journal of Applied Physics

Ab initio study of point-defects in CdF2

T. Mattila, S. Pöykkö, R.M. Nieminen 1997 Physical Review B

Point-defect complexes and broad-band luminesence in GaN and AIN

T. Mattila, R.M. Nieminen 1997 Physical Review B

Chemical reactions in bulk and on surfaces

Risto Nieminen 1997 NATO Advanced Study Institute on Problem Solving in Computational Molecular Science

Tietoteknologian tulevaisuus

R. Nieminen 1997 Tietoviikko

Vacancy-Oxygen Complexes in Silicon

M. Pesola, J. von Boehm, R.M. Nieminen 1997

Vacancy-Oxygen Complexes in Silicon

M. Pesola, J. von Boehm, R.M. Nieminen 1997

Point defects in solids

M.J. Puska, R.M. Nieminen 1997 Density-functional methods in physics and chemistry

Two-component density-functional calculations for positrons trapped by defects in solids

M.J. Puska, T. Korhonen, R.M. Nieminen, A.P. Seitsonen 1997 Applied Surface Science

Metastability of the antistructure pair in GaAs

Sami Pöykkö, M.J. Puska, R.M. Nieminen 1997 Physical Review B

Metastable antisite pair in GaAs

S. Pöykkö, M. J. Puska, R. M. Nieminen 1997 Materials Science Forum

Nitrogen doping in ZnSe

S. Pöykkö, M.J. Puska, T. Korhonen, R.M. Nieminen 1997 Materials Science & Engineering B

Possible n-type dopants in diamond and amorphous carbon

S. Pöykkö, M. Kaukonen, M.J. Puska, R.M. Nieminen 1997

Thermodynamic considerations of the role of hydrogen in sublimation growth of silicon carbide

P. Råback, R. Nieminen, R. Yakimova, Marko Tuominen, E. Janzen 1997 Journal of the Electrochemical Society

Does the shear-lag model apply to random fiber networks?

V.I. Räisänen, M.J. Alava, K.J. Niskanen, R.M. Nieminen 1997 Journal of Materials Research

Failure of planar fiber networks

V.I. Räisänen, M.J. Alava, R.M. Nieminen 1997 Journal of Applied Physics

Atomistic study of the interactions between two partial edge dislocations in gold

J. von Boehm, R.M. Nieminen 1997 Solid State Communications

Quantum chemical simulations of bound hole polarons in corundum crystals

Yu. Zhukovskii, E.A. Kotomin, R.M. Nieminen, J.T. Devreese, A. Stashans 1997 Proceedings of SPIE 2967

Quantum-chemical simulations of free and boundhole polarons in corondum crystal

Yu.F. Zhukovskii, E.A. Kotomin, R.M. Nieminen, A. Stashans 1997 Computational Materials Science

Semi-empirical supercell simulations of free and bound hole polarons in a-Al2O3 crystal

Yu.F. Zhukovskii, A.A. Sokol, E.A. Kotomin, C.R.A. Catlow, R.M. Nieminen 1997 Journal of physics: Condensed matter

Theoretical and experimental study of positron annihilation with core electrons in solids

M. Alatalo, B. Barbiellini, M. Hakala, H. Kauppinen, T. Korhonen, M.J. Puska, K. Saarinen, P. Hautojärvi, R.M. Nieminen 1996 Physical Review B

Calculation of positron states and annihilation in solids: A density-gradient-correction scheme

B. Barbiellini, M.J. Puska, T. Korhonen, A. Harju, T. Torsti, R.M. Nieminen 1996 Physical Review B (Condensed Matter)

Investigation of the composition and structure of GP zones in Al-Ag by means of positron annihilation

G. Bischof, V. Gröger, G. Krexner, R.M. Nieminen 1996 Journal of physics: Condensed matter

Comparison of Constant-NTP Molecular Dynamics Methods

P. Grönberg, J. von Boehm, R.M. Nieminen 1996 Physics Computing ´96

Molecular dynamics study of oxygen defects in silicon

P.J. Grönberg, J. von Boehm, R.M. Nieminen 1996 Early Stages of Oxygen Precipitation in Silicon

Molecular dynamics study of oxygen defects in silicon

P. Grönberg, J. von Boehm, R.M. Nieminen 1996

Molecular dynamics study of oxygen defects in silicon

P. Grönberg, J. von Boehm, R.M. Nieminen 1996

Correlation effects in positron-electron systems: A quantum Monte-Carlo study

A. Harju, B. Barbiellini, S. Siljamäki, R.M. Nieminen, G. Ortiz 1996 Journal of Radioanalytical and Nuclear Chemistry

Correlation effects in positron-electron systems: A Quantum Monte Carlo study, Proc. of the PPC5, Hungary, 1996

A. Harju, B. Barbiellini, S. Siljamäki, R.M. Nieminen, G. Ortiz 1996 Journal of Radioanalytical and Nuclear Chemistry

Stability of light positronic atoms: Quantum Monte Carlo studies

A. Harju, B. Barbiellini, R.M. Nieminen 1996 Physical Review A

First-principles calculation of positron annihilation characteristics at metal vacancies

T. Korhonen, M.J. Puska, R.M. Nieminen 1996 Physical Review B

Defect-induced nucleation and growth of amorphous silicon

L. Lewis, R.M. Nieminen 1996 Physical Review B

Ab initio study of oxygen point defects in GaAs, and AIN

T. Mattila, R.M. Nieminen 1996 Physical Review B

Large atomic displacements associated with the nitrogen antisite in GaN

T. Mattila, A.P. Seitsonen, R.M. Nieminen 1996 Physical Review B

Simulation of radiation-induced structural transformation in amorphous metals

T. Mattila, R.M. Nieminen, M. Dzugatoo 1996 Physical Review B

Ab-initio study of fully relaxed divacancies in GaAs

S. Pöykkö, M.J. Puska, R.M. Nieminen 1996 Physical Review B

Metastable defect complexes in GaAs

S. Pöykkö, M.J. Puska, M. Alatalo, R.M. Nieminen 1996 Physical Review B

Molecular-dynamics study of partial edge dislocations in copper and gold: Interactions, structures, and self-diffusion

J. von Boehm, R.M. Nieminen 1996 Physical Review B

Molecular dynamics study of the interactions between the (112) partial dislocations in copper and gold

J. von Boehm, R.M. Nieminen 1996

Molelcular-dynamics study of partial edge dislocations in copper and gold: interactions, structures

J. von Boehm, R.M. Nieminen 1996 Europhysics Conference Abstracts 20A

Identification of vacancy defects in compound semiconductors by core-electron annihilation: Application to InP

M. Alatalo, H. Kauppinen, K. Saarinen, M.J. Puska, J. Mäkinen, P. Hautojärvi, R.M. Nieminen 1995 Physical Review B

Gradient correction for positron states in solids

B. Barbiellini, M.J. Puska, T. Torsti, R.M. Nieminen 1995 Physical Review B

Positron annihilation and positron electron correlation effects in high-Tc oxides

B. Barbiellini, M.J. Puska, A. Harju, R.M. Nieminen 1995 Journal of Physics and Chemistry of Solids

Energetics of diffusion on the (100) and (111) surfaces of Ag, Au, and Ir from first principles

G. Boisvert, L.J. Lewis, M.J. Puska, R.M. Nieminen 1995 Physical Review B

Experimental determination of the Compton profile of C₆₀ through binary encounter electron spectroscopy

B. D. DePaola, R. Parameswaran, B. P. Walch, M. D. Troike, P. Richard, M. J. Puska, R. M. Nieminen 1995 Journal of Chemical Physics

Monte-Carlo study of CO hydrogenaation on cobalt model catalysts

J.-P. Hovi, J. Lahtinen, Z.S. Liu, R.M. Nieminen 1995 Journal of Chemical Physics

Molecular dynamics simulation of the growth of diamond-like films

M.O. Kaukonen, R.M. Nieminen 1995 Surface Science

Vacancy formation energies for fcc and bcc transition metals

T. Korhonen, M.J. Puska, R.M. Nieminen 1995 Physical Review B

Algorithms for Real Variable Nose-Andersen Constant-Temperature-Constant-Pressure Molecular Dynamics

J.E. Korpela, J. von Boehm, R.M. Nieminen 1995

Vacuum arc carbon deposition and characterization

Jari Koskinen, Juha-Pekka Hirvonen, H. J. Scheibe, Markus Kaukonen, R. Nieminen, J. Keränen 1995

Monte-Carlo simulations combined with UHV-atmospheric pressure reaction studies on CO hydrogenation on cobalt

J. Lahtinen, J.-P. Hovi, R.M. Nieminen 1995 Topics in Catalysis

Direct antisite formation in electron irradiation GaAs

T. Mattila, R.M. Nieminen 1995 Physical Review Letters

Simulation of radiation-induced structural transformation in glassy metals

T. Mattila, R.M. Nieminen, M. Dzugutov 1995 Nuclear Instruments and Methods

Center for Scientific Computing - a large-scale facility for high-performance computing

R. Nieminen 1995 Arkhimedes

Electronic structure and positron spectroscopy of solids and surfaces

Risto Nieminen 1995 Proc. of the Int. School of Physics Enrico Fermi Course CXXV

Electronic structure and positron trapping in semiconductors

R. Nieminen 1995 Materials Science

Electron-positron Car-Parrinello methods: self-consistent treatment of charge densities and ionic relaxations

M.J. Puska, A.P. Seitsonen, R.M. Nieminen 1995 Physical Review Letters

Elastic-plastic random fibre networks

V.I. Räisänen, M.J. Alava, R.M. Nieminen, K.J. Niskanen 1995 1995 International Paper Physics Conf. (Niagara on the Lake, Canada 11.-14.9.1995)

Real-space electronic-structure calculations: combination of the finite-difference and conjugate-gradient methods

A.P. Seitsonen, M.J. Puska, R.M. Nieminen 1995 Physical Review B

Structure of CAl₁₂

A.P. Seitsonen, K. Laasonen, R.M. Nieminen, M.L. Klein 1995 Journal of Chemical Physics

Constant-NTV Molecular Dynamics study on Point Defects at the Partial Dislocation in Copper

J. von Boehm, R.M. Nieminen 1995

MD study of point defects in the stacking fault ribbon in copper and gold

J. von Boehm, R.M. Nieminen 1995 9th Nordic Symposium on Computer Simulation of Liquids and Solids, Hindås (Sweden), August 25-27, 1995

Elasticity and plasticity of fiber networks

M. Alava, V. Räisänen, R. Nieminen 1994 CSC news

Monte-Carlo simulations of the CO hydrogenation on a (0001) surface

J. Hovi, J. Lahtinen, J. Vaari, R. Nieminen 1994 Surface Science

Repulsive pair-potential and nuclear stopping power of crystalline Si for low-velocity Si ions

J. Keinonen, A. Kuronen, K. Nordlung, R. Nieminen, A. Seitsonen 1994 Nuclear Instruments and Methods B

Electronic structure and positron trapping in semiconductors

R. Nieminen 1994 The 10th International Conference on Positron Annihilation, Beijing, China, 1994

Electronic structure of solids and surfaces

Risto Nieminen 1994 International School of Physics "Enrico Fermi", Course CXXV, Varenna, Italy, 1993

Materials, complexity and computing

R. Nieminen 1994 Computational Materials Science

Slow positron beam techniques for solids and surfaces

Risto Nieminen 1994 American Institute of Physics, New York, USA, 1994

Tietokoneita, verkkoja ja multimediaa

R. Nieminen 1994 Korkeakoulutieto

Theory of Positrons in Solids and on Solid Surfaces

Martti Puska, Risto Nieminen 1994 Reviews of Modern Physics

Computer studies of elasticity and plasticity of random fiber networks

V. Räisänen, M. Alava, R. Nieminen, K. Niskanen 1994

Indium and phosphorus vacancies and antisites in InP

A. P. Seitsonen, R. Virkkunen, M. J. Puska, R. M. Nieminen 1994 Physical Review B

First-principles simulations of vacancies and antisites in InP

R. Virkkunen, A. P. Seitsonen, M. J. Puska, R. M. Nieminen 1994 Materials Science Forum

Algorithms for real variable constant-NTP molecular dynamics

J. von Boehm, J.E. Korpela, R.M. Nieminen 1994

Canonical molecular dynamics study on self-pipe-diffusion in gold

J. von Boehm, R.M. Nieminen 1994 The XXVIII Annual Conference of the Finnish Physical Society, March 17-19, Järvenpää

Constant-NTV molecular dynamics (MD) study on self-pipe-diffusion in gold

J. von Boehm, R.M. Nieminen 1994 14th general conference of the condensed matter division of EPS (GCCMD-14),Madrid, March 28-31,1994

Nosé-Hoover molecular-dynamics study of self-pipe-diffusion in gold using many-atom interactions

J. von Boehm, R.M. Nieminen 1994 Physical Review B

Properties of dislocations in metals

J. von Boehm, R.M. Nieminen 1994 5th Finnish Mechanics Days, Jyväskylä, 26-27 May, 1994

Phosphorus vacancy in InP

M. Alatalo, R. M. Nieminen, M. J. Puska, A. P. Seitsonen, R. Virkkunen 1993 Physical Review B

Positron annihilation at paramagnetic defects in semiconductors

M. Alatalo, M. J. Puska, R. M. Nieminen 1993 Journal of physics: Condensed matter

Solution algorithms in real variables for Nose-Andersen isothermal-isobaric ensemble molecular dynamics

J.E. Korpela, J. von Boehm, R.M. Nieminen 1993

Comment on binding of hydrogen molecules by a transition-metal ion

Matti Manninen, Risto Nieminen 1993 Physical Review Letters

Photoabsorption of atoms inside C60

M. J. Puska, R. M. Nieminen 1993 Physical Review A

Crystals from metallic clusters

A. P. Seitsonen, M. J. Puska, M. Alatalo, R. M. Nieminen, V. Milman, M. C. Payne 1993 Physical Review B

Nose-Hoover molecular dynamics study on self-pipe-diffusion along the dissociated (112) edge dislocation of gold

J. von Boehm, R.M. Nieminen 1993 7th Nordic Symposium on Computer Simulation, Espoo 3-5, September 1993

Spherical voids and clusters in the stabilized jellium model

P. Ziesche, M. J. Puska, T. Korhonen, R. M. Nieminen 1993 Journal of physics: Condensed matter

First-principles study of He in Si

M. Alatalo, M. J. Puska, R. M. Nieminen 1992 Physical Review B

Molecular-dynamics simulation of the growth of diamondlike films by energetic carbon-atom beams

H. P. Kaukonen, Risto Nieminen 1992 Physical Review Letters

First-principles study of fully relaxed vacancies in GaAs

K. Laasonen, Risto Nieminen, M. J. Puska 1992 Physical Review B

Positron and electron energy levels in rare-gas solids

M. J. Puska, R. M. Nieminen 1992 Physical Review B

Positron states in fullerites and other carbon phases

M. J. Puska, Risto Nieminen 1992 Journal of physics: Condensed matter

Constant-NVT Molecular Dynamics Simulation of Self-Pipe Diffusion in Gold

J. von Boehm, R.M. Nieminen 1992 Joint Nordic Spring Meeting, Nyborg Strand, Denmark, 7-10 May 1992

Nose-Hoover molecular dynamics study on self-diffusion along the dissociated (112) edge dislocation of Gold

Juhani von Boehm, Risto Nieminen 1992 XXVI annual conference of the Finnish Physical Society, Lahti, 19-21 March 1992

Nose-Hoover molecular dynamics study on self-diffusion along the dissociated (112) edge dislocation of Gold

J. von Boehm, R.M. Nieminen 1992

Tunnelling in oscillating double-barrier heterostructures

MF BJORKSTEN, Risto Nieminen, Kari Laasonen 1991 Journal of physics: Condensed matter

First-principles simulation of intrinsic collision cascades in KCl and NaCl to test interatomic potentials at energies between 5 and 350 eV

J. Keinonen, A. Kuronen, P. Tikkanen, H. G. Börner, J. Jolie, S. Ulbig, E. G. Kessler, R. M. Nieminen, M. J. Puska, A. P. Seitsonen 1991 Physical Review Letters

Charge-state-dependent relaxation and positron states at vacancy defects in GaAs

K. Laasonen, M. Alatalo, M. J. Puska, Risto Nieminen 1991 Journal of physics: Condensed matter

Atoms embedded in an electron gas

M. J. Puska, R. M. Nieminen 1991 Physical Review B

Interactions between rare-gas atoms

M. J. Puska, R. M. Nieminen 1991 Journal of physics: Condensed matter

Molecular dynamics using the tight-binding approximation

R. Virkkunen, K. Laasonen, R. M. Nieminen 1991 Journal of physics: Condensed matter

Computer simulations of radiation damage in amorphous solids

Jari Laakkonen, Risto Nieminen 1990 Physical Review B

Molecular dynamics using the tight-binding approximation

K. Laasonen, Risto Nieminen 1990 Journal of physics: Condensed matter

Positron trapping in semiconductors

M. J. Puska, C. Corbel, R. M. Nieminen 1990 Physical Review B

Transport model for hot positrons in layered structures

P. A. Huttunen, A. Vehanen, Risto Nieminen 1989 Physical Review B

Positron states in YBa₂Cu₃O_7-x

K. O. Jenson, R. M. Nieminen, M. J. Puska 1989 Journal of physics: Condensed matter

Computer simulations studies of the catalytic oxidation of carbon monoxide on platinum metals

H. P. Kaukonen, Risto Nieminen 1989 Journal of Chemical Physics

Positron affinities for elemental metals

M. J. Puska, P. Lanki, R. M. Nieminen 1989 Journal of physics: Condensed matter

Screening of positrons in semiconductors and insulators

M. J. Puska, S. Mäkinen, Matti Manninen, Risto Nieminen 1989 Physical Review B

Energy deposition of keV electrons in light elements

S. Valkealahti, J. Schou, Risto Nieminen 1989 Journal of Applied Physics

Molecular dynamics simulation of epitaxial growth of the Si(001) surface

J. Lampinen, Risto Nieminen, Kimmo Kaski 1988 Surface Science

Molecular dynamics simulation of the structure and melting transition of the Si(001) surface

J. Lampinen, Risto Nieminen, Kimmo Kaski 1988 Surface Science

Angular distribution of positrons emitted from metal surfaces

J. D. Neilson, Risto Nieminen, J. Szymanski 1988 Physical Review B

Charge transfer and positron states at alkali-metal-covered nickel surfaces

Risto Nieminen, Kjeld O. Jensen 1988 Physical Review B

Electron and positron energy levels in solids

O. V. Boev, M. J. Puska, R. M. Nieminen 1987 Physical Review B

Hydrogen and deuterium decoration of In-vacancy complexes in nickel

M. J. Puska, R. M. Nieminen, P. Jena 1987 Physical Review B

Nonlinear calculations of the energy loss of slow ions in an electron gas

J. C. Ashley, R. H. Ritchie, P. M. Echenique, R. M. Nieminen 1986 NUCLEAR INSTRUMENTS AND METHODS IN PHYSICS RESEARCH SECTION B: BEAM INTERACTIONS WITH MATERIALS AND ATOMS