Articles with public access mandates - Arsalan HashemiLearn more
Available somewhere: 16
Vibrational properties of metal phosphorus trichalcogenides from first-principles calculations
A Hashemi, HP Komsa, M Puska, AV Krasheninnikov
The Journal of Physical Chemistry C 121 (48), 27207-27217, 2017
Mandates: Academy of Finland
Thermal transport in from molecular dynamics using different empirical potentials
K Xu, AJ Gabourie, A Hashemi, Z Fan, N Wei, AB Farimani, HP Komsa, ...
Physical Review B 99 (5), 054303, 2019
Mandates: US National Science Foundation, US Department of Defense, National Natural …
Simulating Raman spectra by combining first-principles and empirical potential approaches with application to defective MoS2
Z Kou, A Hashemi, MJ Puska, AV Krasheninnikov, HP Komsa
npj Computational Materials 6 (1), 59, 2020
Mandates: Academy of Finland
Local vibrational modes of Si vacancy spin qubits in SiC
Z Shang, A Hashemi, Y Berencén, HP Komsa, P Erhart, S Zhou, M Helm, ...
Physical Review B 101 (14), 144109, 2020
Mandates: German Research Foundation, Academy of Finland
Phonons and excitons in ZrSe 2–ZrS 2 alloys
SM Oliver, JJ Fox, A Hashemi, A Singh, RL Cavalero, S Yee, DW Snyder, ...
Journal of Materials Chemistry C 8 (17), 5732-5743, 2020
Mandates: US National Science Foundation, US Department of Defense, Academy of Finland
Efficient Calculation of the Lattice Thermal Conductivity by Atomistic Simulations with Ab Initio Accuracy
J Brorsson, A Hashemi, Z Fan, E Fransson, F Eriksson, T Ala‐Nissila, ...
Advanced Theory and Simulations, 2100217, 2021
Mandates: National Natural Science Foundation of China, Danish Council for Strategic …
Efficient method for calculating Raman spectra of solids with impurities and alloys and its application to two-dimensional transition metal dichalcogenides
A Hashemi, AV Krasheninnikov, M Puska, HP Komsa
Physical Review Materials 3 (2), 023806, 2019
Mandates: German Research Foundation, Academy of Finland
Chlorine doping of MoSe 2 flakes by ion implantation
S Prucnal, A Hashemi, M Ghorbani-Asl, R Hübner, J Duan, Y Wei, ...
Nanoscale 13 (11), 5834-5846, 2021
Mandates: German Research Foundation, Federal Ministry of Education and Research, Germany
Hydrogen-assisted post-growth substitution of tellurium into molybdenum disulfide monolayers with tunable compositions
G Yin, D Zhu, D Lv, A Hashemi, Z Fei, F Lin, AV Krasheninnikov, Z Zhang, ...
Nanotechnology 29 (14), 145603, 2018
Mandates: US Department of Defense, National Natural Science Foundation of China …
Photoluminescence line shapes for color centers in silicon carbide from density functional theory calculations
A Hashemi, C Linderälv, AV Krasheninnikov, T Ala-Nissila, P Erhart, ...
Physical Review B 103 (12), 125203, 2021
Mandates: Academy of Finland, Knut and Alice Wallenberg Foundation
Low-energy Se ion implantation in MoS2 monolayers
MN Bui, S Rost, M Auge, JS Tu, L Zhou, I Aguilera, S Blügel, ...
npj 2D Materials and Applications 6 (1), 42, 2022
Mandates: German Research Foundation, Volkswagen Foundation, Irish Research Council
Understanding electron transfer reactions using constrained density functional theory: complications due to surface interactions
A Hashemi, P Peljo, K Laasonen
The Journal of Physical Chemistry C 127 (7), 3398-3407, 2023
Mandates: European Commission
Density functional theory and machine learning for electrochemical square-scheme prediction: an application to quinone-type molecules relevant to redox flow batteries
A Hashemi, R Khakpour, A Mahdian, M Busch, P Peljo, K Laasonen
Digital Discovery 2 (5), 1565-1576, 2023
Mandates: Academy of Finland, European Commission
Kinetics of N2 Release from Diazo Compounds: A Combined Machine Learning-Density Functional Theory Study
K Farshadfar, A Hashemi, R Khakpour, K Laasonen
ACS omega 9 (1), 1106-1112, 2023
Mandates: Academy of Finland
Exploration of Vitamin B6‐Based Redox‐Active Pyridinium Salts Towards the Application in Aqueous Organic Flow Batteries
AA Nechaev, G Gonzalez, P Verma, VA Peshkov, A Bannykh, A Hashemi, ...
Chemistry–A European Journal, e202400828, 2024
Mandates: European Commission
Modeling Raman and Photoluminescence Spectra of Defective Materials
A Hashemi
Aalto University, 2023
Mandates: Academy of Finland
Publication and funding information is determined automatically by a computer program