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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations.
Kühne TD, Iannuzzi M, Del Ben M, Rybkin VV, Seewald P, Stein F, Laino T, Khaliullin RZ, Schütt O, Schiffmann F, Golze D, Wilhelm J, Chulkov S, Bani-Hashemian MH, Weber V, Borštnik U, Taillefumier M, Jakobovits AS, Lazzaro A, Pabst H, Müller T, Schade R, Guidon M, Andermatt S, Holmberg N, Schenter GK, Hehn A, Bussy A, Belleflamme F, Tabacchi G, Glöß A, Lass M, Bethune I, Mundy CJ, Plessl C, Watkins M, VandeVondele J, Krack M, Hutter J. Kühne TD, et al. Among authors: bani hashemian mh. J Chem Phys. 2020 May 21;152(19):194103. doi: 10.1063/5.0007045. J Chem Phys. 2020. PMID: 33687235
Microcanonical RT-TDDFT simulations of realistically extended devices.
Andermatt S, Bani-Hashemian MH, Ducry F, Brück S, Clima S, Pourtois G, VandeVondele J, Luisier M. Andermatt S, et al. Among authors: bani hashemian mh. J Chem Phys. 2018 Sep 28;149(12):124701. doi: 10.1063/1.5040048. J Chem Phys. 2018. PMID: 30278661
Charge transport in semiconductors assembled from nanocrystal quantum dots.
Yazdani N, Andermatt S, Yarema M, Farto V, Bani-Hashemian MH, Volk S, Lin WMM, Yarema O, Luisier M, Wood V. Yazdani N, et al. Among authors: bani hashemian mh. Nat Commun. 2020 Jun 5;11(1):2852. doi: 10.1038/s41467-020-16560-7. Nat Commun. 2020. PMID: 32503965 Free PMC article.