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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations.
J Chem Phys. 2020 May 21;152(19):194103. doi: 10.1063/5.0007045.
J Chem Phys. 2020.
PMID: 33687235
A generalized Poisson solver for first-principles device simulations.
Bani-Hashemian MH, Brück S, Luisier M, VandeVondele J.
Bani-Hashemian MH, et al.
J Chem Phys. 2016 Jan 28;144(4):044113. doi: 10.1063/1.4940796.
J Chem Phys. 2016.
PMID: 26827208
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Efficient algorithms for large-scale quantum transport calculations.
Brück S, Calderara M, Bani-Hashemian MH, VandeVondele J, Luisier M.
Brück S, et al. Among authors: bani hashemian mh.
J Chem Phys. 2017 Aug 21;147(7):074116. doi: 10.1063/1.4998421.
J Chem Phys. 2017.
PMID: 28830153
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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
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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.
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