Department of Applied Physics

Computational Electronic Structure Theory (CEST)

The Computational Electronic Structure Theory Group is developing electronic structure and machine learning methods and applies them to pertinent problems in material science, surface science, physics, chemistry and the nano sciences.
CEST researchers standing in a group
Back row from left: P. Henkel, J. Löfgren, M. Stosiek, J. Järvi, O. Krejci; middle: A. Tiihonen, E. Lehto, M. Marques, V. Havu, H. Sandström, M. Iannacchero, J. Laakso; front: L. Fang, F. Delesma, P. Pisal, N. Bhatia, P. Rinke, K. Ghosh

Research

Latest Publications

Validation of the GreenX library time-frequency component for efficient GW and RPA calculations

Maryam Azizi, Jan Wilhelm, Dorothea Golze, Francisco A. Delesma, Ramón L. Panadés-Barrueta, Patrick Rinke, Matteo Giantomassi, Xavier Gonze 2024 Physical Review B

Machine-learning accelerated structure search for ligand-protected clusters

Lincan Fang, Jarno Laakso, Patrick Rinke, Xi Chen 2024 Journal of Chemical Physics

Tailoring Hot-Carrier Distributions of Plasmonic Nanostructures through Surface Alloying

Jakub Fojt, Tuomas P. Rossi, Priyank V. Kumar, Paul Erhart 2024 ACS Nano

Time-frequency component of the GreenX library: minimax grids for efficient RPA and GW calculations

Maryam Azizi, Jan Wilhelm, Dorothea Golze, Matteo Giantomassi, Ramón L. Panadés-Barrueta, Francisco A. Delesma, Alexander Buccheri, Andris Gulans, Patrick Rinke, Claudia Draxl, Xavier Gonze 2023 JOURNAL OF OPEN SOURCE SOFTWARE

Atomic structures, conformers and thermodynamic properties of 32k atmospheric molecules

Vitus Besel, Milica Todorović, Theo Kurtén, Patrick Rinke, Hanna Vehkamäki 2023 Scientific Data

Ferrofluidic Manipulator : Theoretical Model for Single-Particle Velocity

Zoran M. Cenev, Ville Havu, Jaakko V.I. Timonen, Quan Zhou 2023 IEEE/ASME Transactions on Mechatronics

Core-Selective Silver-Doping of Gold Nanoclusters by Surface-Bound Sulphates on Colloidal Templates: From Synthetic Mechanism to Relaxation Dynamics

Sourov Chandra, Alice Sciortino, Shruti Shandilya, Lincan Fang, Xi Chen, Hua Jiang, Leena Sisko Johansson, Marco Cannas, Janne Ruokolainen, Robin H.A. Ras, Fabrizio Messina, Bo Peng, Olli Ikkala 2023 ADVANCED OPTICAL MATERIALS

Gold Au(I)6 Clusters with Ligand-Derived Atomic Steric Locking: Multifunctional Optoelectrical Properties and Quantum Coherence

Sourov Chandra, Alice Sciortino, Susobhan Das, Faisal Ahmed, Arijit Jana, Jayoti Roy, Diao Li, Ville Liljeström, Hua Jiang, Leena Sisko Johansson, Xi Chen, Marco Cannas, Thalappil Pradeep, Bo Peng, Robin H.A. Ras, Zhipei Sun, Olli Ikkala, Fabrizio Messina 2023 ADVANCED OPTICAL MATERIALS

An Alternative to the Born Rule : Spectral Quantization

Marc Dvorak 2023 Foundations of Physics
More information on our research in the Aalto research portal.
Research portal

Aalto Materials Digitalization Platform - AMAD

Materials data infrastructure for Aalto University

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Research Group Members

Group Leader

Lecturers

 Ville Havu

Ville Havu

Senior University Lecturer

Postdoctoral Researchers

 Joakim Löfgren

Joakim Löfgren

Postdoctoral Researcher

Hilda Sandström

Postdoctoral Researcher

Matthias Stosiek

Postdoctoral Researcher

Armi Tiihonen

Marie Curie Fellow

Doctoral, Master Students and Research Assistants

Lucas Bandeira

Doctoral Researcher
 Kunal Ghosh

Kunal Ghosh

Doctoral Candidate

Yuhao Zhang

Doctoral Researcher

Henrietta Homm

Research Assistant
 Han Le

Han Le

Research Assistant

Emma Lehto

Research Assistant

Tatu Linnala

Research Assistant

Visiting Researchers

 Xi Chen

Xi Chen

Visiting Researcher
 Marc Dvorak

Marc Dvorak

Visiting Researcher (HRL Laboratories)
 Dorothea Golze

Dorothea Golze

Visiting Researcher (TU Dresden)
 Tuomas Rossi

Tuomas Rossi

Visiting Researcher
 Milica Todorovic

Milica Todorovic

Visiting Researcher (Turku University)

News

White fox walking in winter landscape, technological elements in background with text LUMI
Research & Art Published:

CEST researchers receive significant LUMI supercomputing resources

Read how two successful machine learning projects got support by a supercomputer
Two of the awardees and their robotic arm all holding colorful mugs. Aalto Open Science Award, Honorary mention.
Awards and Recognition, Research & Art Published:

Aalto Open Science Award Third Place Awardee 2023 – Intelligent Robotics Research Group with the Robotic Manipulation of Deformable Objects project

We interviewed the Intelligent Robotics Research Group with the Robotic Manipulation of Deformable Objects project, 3rd place awardees of the first Aalto Open Science Award.
Lara Ejtehadian, Patrick Rinke, and Ilari Lähteenmäki sitting with coffee mugs and smiling to the camera.
Awards and Recognition, Research & Art Published:

Aalto Open Science Award Winner 2023 – Aalto Materials Digitalization Platform (AMAD)

We interviewed the AMAD team, winners of the first Aalto Open Science Award.
graphic showing molecules and a bar chart
Research & Art Published:

Current Events

Follow Patrick Rinke and his team

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