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Victor Wen-zhe Yu
Victor Wen-zhe Yu
Midwest Integrated Center for Computational Materials, Argonne National Laboratory
Verified email at anl.gov
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Cited by
Year
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ...
The Journal of Chemical Physics 152, 124101, 2020
3502020
Urea‐modified carbon nitrides: Enhancing photocatalytic hydrogen evolution by rational defect engineering
VW Lau, VW Yu, F Ehrat, T Botari, I Moudrakovski, T Simon, V Duppel, ...
Advanced Energy Materials 7, 1602251, 2017
1952017
Siesta: Recent developments and applications
A García, N Papior, A Akhtar, E Artacho, V Blum, E Bosoni, P Brandimarte, ...
The Journal of Chemical Physics 152, 204108, 2020
1492020
ELSI: A unified software interface for Kohn–Sham electronic structure solvers
VW Yu, F Corsetti, A García, WP Huhn, M Jacquelin, W Jia, B Lange, L Lin, ...
Computer Physics Communications 222, 267-285, 2018
672018
Edge preference and band gap characters of MoS2 and WS2 nanoribbons
SL Xiao, WZ Yu, SP Gao
Surface Science 653, 107-112, 2016
472016
Band gap characters and ferromagnetic/antiferromagnetic coupling in group-IV monolayers tuned by chemical species and hydrogen adsorption configurations
WZ Yu, JA Yan, SP Gao
Nanoscale research letters 10, 351, 2015
412015
ELSI – an open infrastructure for electronic structure solvers
VW Yu, C Campos, W Dawson, A García, V Havu, B Hourahine, WP Huhn, ...
Computer Physics Communications 256, 107459, 2020
252020
GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions
WP Huhn, B Lange, VW Yu, M Yoon, V Blum
Computer Physics Communications 254, 107314, 2020
212020
The CECAM electronic structure library and the modular software development paradigm
MJT Oliveira, N Papior, Y Pouillon, V Blum, E Artacho, D Caliste, ...
The Journal of Chemical Physics 153, 024117, 2020
152020
GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and Hermitian eigenproblems
VW Yu, J Moussa, P Kůs, A Marek, P Messmer, M Yoon, H Lederer, ...
Computer Physics Communications 262, 107808, 2021
102021
On the optical anisotropy in 2D metal-halide perovskites
M Steger, SM Janke, PC Sercel, BW Larson, H Lu, X Qin, VW Yu, V Blum, ...
Nanoscale 14, 752-765, 2022
42022
Quasi-four-component method with numeric atom-centered orbitals for relativistic density functional simulations of molecules and solids
R Zhao, VW Yu, K Zhang, Y Xiao, Y Zhang, V Blum
Physical Review B 103, 245144, 2021
32021
Accurate frozen core approximation for all-electron density-functional theory
VW Yu, J Moussa, V Blum
The Journal of Chemical Physics 154, 224107, 2021
12021
GPU acceleration of large-scale full-frequency GW calculations
VW Yu, M Govoni
Journal of Chemical Theory and Computation 18, 4690-4707, 2022
2022
Boron nitride on SiC (0001)
YR Lin, M Franke, S Parhizkar, M Raths, VW Yu, TL Lee, S Soubatch, ...
Physical Review Materials 6, 064002, 2022
2022
Molecular NMR shieldings, J-couplings, and magnetizabilities from numeric atom-centered orbital based density-functional calculations
R Laasner, W Huhn, J Colell, T Theis, V Yu, W Warren, V Blum
arXiv preprint arXiv:1805.12225, 2018
2018
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