Arsalan Hashemipetrudi
Postdoctoral Researcher
Postdoctoral Researcher
T105 Chemistry and Materials
Full researcher profile
https://research.aalto.fi/...
Contact information
Email
[email protected]
Research groups
- Computational Chemistry, Postdoctoral Researcher
Publications
Density functional theory and machine learning for electrochemical square-scheme prediction: an application to quinone-type molecules relevant to redox flow batteries
Arsalan Hashemi, Reza Khakpour, Amir Mahdian, Michael Busch, Pekka Peljo, Kari Laasonen
2023
Digital Discovery
Modeling Raman and Photoluminescence Spectra of Defective Materials
Arsalan Hashemi
2023
Understanding Electron Transfer Reactions Using Constrained Density Functional Theory: Complications Due to Surface Interactions
Arsalan Hashemi, Pekka Peljo, Kari Laasonen
2023
Journal of Physical Chemistry C
Efficient Calculation of the Lattice Thermal Conductivity by Atomistic Simulations with Ab Initio Accuracy
Joakim Brorsson, Arsalan Hashemi, Zheyong Fan, Erik Fransson, Fredrik Eriksson, Tapio Ala-Nissila, Arkady V. Krasheninnikov, Hannu Pekka Komsa, Paul Erhart
2022
Advanced theory and simulations
Low-energy Se ion implantation in MoS2 monolayers
Minh N. Bui, Stefan Rost, Manuel Auge, Jhih Sian Tu, Lanqing Zhou, Irene Aguilera, Stefan Blügel, Mahdi Ghorbani-Asl, Arkady V. Krasheninnikov, Arsalan Hashemi, Hannu Pekka Komsa, Lei Jin, Lidia Kibkalo, Eoghan N. O’Connell, Quentin M. Ramasse, Ursel Bangert, Hans C. Hofsäss, Detlev Grützmacher, Beata E. Kardynal
2022
npj 2D Materials and Applications
Strain induced coupling and quantum information processing with hexagonal boron nitride quantum emitters
F. T. Tabesh, Q. Hassanzada, M. Hadian, A. Hashemi, I. Abdolhosseini Sarsari, M. Abdi
2022
Quantum Science and Technology
Photoluminescence line shapes for color centers in silicon carbide from density functional theory calculations
Arsalan Hashemi, Christopher Linderälv, Arkady V. Krasheninnikov, Tapio Ala-Nissila, Paul Erhart, Hannu Pekka Komsa
2021
Physical Review B
Chlorine doping of MoSe2flakes by ion implantation
Slawomir Prucnal, Arsalan Hashemi, Mahdi Ghorbani-Asl, René Hübner, Juanmei Duan, Yidan Wei, Divanshu Sharma, Dietrich R.T. Zahn, René Ziegenrücker, Ulrich Kentsch, Arkady V. Krasheninnikov, Manfred Helm, Shengqiang Zhou
2021
Nanoscale
Theoretical study of quantum emitters in two-dimensional silicon carbide monolayers
Q. Hassanzada, I. Abdolhosseini Sarsari, A. Hashemi, A. Ghojavand, A. Gali, M. Abdi
2020
Physical Review B
Simulating Raman spectra by combining first-principles and empirical potential approaches with application to defective MoS2
Zhennan Kou, Arsalan Hashemi, Martti J. Puska, Arkady V. Krasheninnikov, Hannu Pekka Komsa
2020
npj Computational Materials