Wenhui Mi (米文慧)
Wenhui Mi (米文慧)
Professor, International Center for Computational Method and Software, Jilin University
Verified email at jlu.edu.cn - Homepage
Title
Cited by
Cited by
Year
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
512018
Nonlocal kinetic energy functionals by functional integration
W Mi, A Genova, M Pavanello
The Journal of chemical physics 148 (18), 184107, 2018
402018
Nonlocal kinetic energy functionals by functional integration
W Mi, A Genova, M Pavanello
255th ACS National Meeting, 2018
402018
ATLAS: A real-space finite-difference implementation of orbital-free density functional theory
W Mi, X Shao, C Su, Y Zhou, S Zhang, Q Li, H Wang, L Zhang, M Miao, ...
Computer Physics Communications 200, 87-95, 2016
312016
Orbital-free density functional theory correctly models quantum dots when asymptotics, nonlocality, and nonhomogeneity are accounted for
W Mi, M Pavanello
Physical Review B 100 (4), 041105, 2019
162019
Nonlocal Subsystem Density Functional Theory
W Mi, M Pavanello
The Journal of Physical Chemistry Letters 11 (1), 272-279, 2020
152020
First-principle optimal local pseudopotentials construction via optimized effective potential method
W Mi, S Zhang, Y Wang, Y Ma, M Miao
The Journal of chemical physics 144 (13), 134108, 2016
142016
DFTpy: An efficient and object‐oriented platform for orbital‐free DFT simulations
X Shao, K Jiang, W Mi, A Genova, M Pavanello
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (1), e1482, 2021
112021
scaling method to evaluate the ion–electron potential of crystalline solids
X Shao, W Mi, Q Xu, Y Wang, Y Ma
The Journal of chemical physics 145 (18), 184110, 2016
52016
Ab Initio Structure and Dynamics of CO2 at Supercritical Conditions
W Mi, P Ramos, J Maranhao, M Pavanello
The journal of physical chemistry letters 10 (24), 7554-7559, 2019
42019
eQE 2.0: Subsystem DFT Beyond GGA Functionals
W Mi, X Shao, A Genova, D Ceresoli, M Pavanello
arXiv preprint arXiv:2103.07556, 2021
22021
Efficient DFT Solver for Nanoscale Simulations and Beyond
X Shao, W Mi, M Pavanello
The Journal of Physical Chemistry Letters 12 (17), 4134-4139, 2021
12021
GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals
X Shao, W Mi, M Pavanello
Journal of Chemical Theory and Computation, 2021
12021
Constructing optimal local pseudopotentials from first principles
W Mi, S Zhang, Y Ma, M Miao
arXiv preprint arXiv:1503.02992, 2015
12015
Revised Huang-Carter nonlocal kinetic energy functional for semiconductors and their surfaces
X Shao, W Mi, M Pavanello
Physical Review B 104 (4), 045118, 2021
2021
DFT3: An Efficient DFT Solver for Nanoscale Simulations and Beyond.
X Shao, W Mi, M Pavanello
Bulletin of the American Physical Society, 2021
2021
Nonlocal Kinetic Energy Functional Enables Reliable Large-scale Electronic Structure Simulations
W Mi, M Pavanello
Bulletin of the American Physical Society, 2021
2021
DFT: An Efficient DFT Solver for Nanoscale Simulations and Beyond.
X Shao, W Mi, M Pavanello
Bulletin of the American Physical Society 65, 2020
2020
Nonlocal Kinetic Energy Functional Enables Reliable Large-scale Electronic Structure Simulations
W Mi, M Pavanello
APS Mid Atlantic Section Meeting 2020, 2020
2020
New-Generation Nonlocal Orbital-free DFT Reaches Beyond the Nanoscale
X Shao, W Mi, M Pavanello
arXiv e-prints, arXiv: 2010.07385, 2020
2020
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