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

Arsalan Hashemi

Research groups

Publications

Kinetics of N₂ Release from Diazo Compounds: A Combined Machine Learning-Density Functional Theory Study

Density functional theory and machine learning for electrochemical square-scheme prediction: an application to quinone-type molecules relevant to redox flow batteries

Modeling Raman and Photoluminescence Spectra of Defective Materials

Understanding Electron Transfer Reactions Using Constrained Density Functional Theory: Complications Due to Surface Interactions

Efficient Calculation of the Lattice Thermal Conductivity by Atomistic Simulations with Ab Initio Accuracy

Low-energy Se ion implantation in MoS₂ monolayers

Strain induced coupling and quantum information processing with hexagonal boron nitride quantum emitters

Photoluminescence line shapes for color centers in silicon carbide from density functional theory calculations

Chlorine doping of MoSe₂flakes by ion implantation

Theoretical study of quantum emitters in two-dimensional silicon carbide monolayers