Arsalan Hashemipetrudi

Postdoctoral Researcher
Postdoctoral Researcher
T105 Chemistry and Materials
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Research groups

  • Computational Chemistry, Postdoctoral Researcher


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

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