Victor Wen-zhe Yu
Victor Wen-zhe Yu
Midwest Integrated Center for Computational Materials, Argonne National Laboratory
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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 (12), 1602251, 2017
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 (12), 124101, 2020
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 (20), 204108, 2020
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
Edge preference and band gap characters of MoS2 and WS2 nanoribbons
SL Xiao, WZ Yu, SP Gao
Surface Science 653, 107-112, 2016
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 (1), 1-13, 2015
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
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
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 (2), 024117, 2020
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
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 (24), 245144, 2021
Accurate frozen core approximation for all-electron density-functional theory
VW Yu, J Moussa, V Blum
The Journal of Chemical Physics 154 (22), 224107, 2021
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
Electronic Structure-Based Discovery of Hybrid Photovoltaic Materials on Next-Generation HPC Platforms
TJ Williams, R Balakrishnan, V Blum, WP Huhn, C Liu, D Mitzi, Y Kanai, ...
Argonne National Lab.(ANL), Argonne, IL (United States), 2017
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