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Kaili Jiang
Kaili Jiang
Verified email at rutgers.edu
Title
Cited by
Cited by
Year
The importance of being inconsistent
A Wasserman, J Nafziger, K Jiang, MC Kim, E Sim, K Burke
Annual review of physical chemistry 68 (1), 2017
962017
Silicene nanomesh
F Pan, Y Wang, K Jiang, Z Ni, J Ma, J Zheng, R Quhe, J Shi, J Yang, ...
Scientific reports 5 (1), 1-8, 2015
492015
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
222021
Accurate reference data for the nonadditive, noninteracting kinetic energy in covalent bonds
J Nafziger, K Jiang, A Wasserman
Journal of chemical theory and computation 13 (2), 577-586, 2017
212017
Non-additive non-interacting kinetic energy of rare gas dimers
K Jiang, J Nafziger, A Wasserman
The Journal of chemical physics 148 (10), 104113, 2018
102018
Constructing a non-additive non-interacting kinetic energy functional approximation for covalent bonds from exact conditions
K Jiang, J Nafziger, A Wasserman
The Journal of chemical physics 149 (16), 164112, 2018
92018
Time-dependent orbital-free density functional theory: Background and Pauli kernel approximations
K Jiang, M Pavanello
Physical Review B 103, 245102, 2021
62021
Virial relations in density embedding
K Jiang, MA Mosquera, Y Oueis, A Wasserman
International Journal of Quantum Chemistry, e26204, 2020
42020
Nonlocal and nonadiabatic Pauli potential for time-dependent orbital-free density functional theory
K Jiang, X Shao, M Pavanello
Physical Review B 104 (23), 235110, 2021
32021
Wiley Interdiscip
X Shao, K Jiang, W Mi, A Genova, M Pavanello
Rev.: Comput. Mol. Sci 11, e1482, 2021
32021
Upper bound to the gradient-based kinetic energy density of noninteracting electrons in an external potential
WC Witt, K Jiang, EA Carter
The Journal of Chemical Physics 151 (6), 064113, 2019
22019
Many-body van der Waals interactions in wet MoS2 surfaces
X Shao, A Umerbekova, K Jiang, M Pavanello
Electronic Structure 4 (2), 024001, 2022
12022
Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory
L Fiedler, ZA Moldabekov, X Shao, K Jiang, T Dornheim, M Pavanello, ...
arXiv preprint arXiv:2206.03754, 2022
2022
Nonlocal and Nonadiabatic Time-dependent Pauli Potential
K Jiang, X Shao, M Pavanello
Bulletin of the American Physical Society, 2022
2022
The importance of nonlocality and nonadiabaticity in the Pauli potential for time-dependent orbital-free density functional theory
K Jiang, M Pavanello
arXiv e-prints, arXiv: 2108.07870, 2021
2021
Foundations, Reflections and Applications of Time-dependent Orbital-free Density Functional Theory
K Jiang, X Shao, M Pavanello
APS March Meeting Abstracts 2021, A26. 002, 2021
2021
TD-DFT without wavefunctions
K Jiang, X Shao, M Pavanello
Bulletin of the American Physical Society 65, 2020
2020
Modeling device-level semiconductors and their interfaces by orbital-free DFT
X Shao, K Jiang, M Pavanello
Bulletin of the American Physical Society 65, 2020
2020
Constructing fragment-density functionals
K Jiang
Purdue University, 2018
2018
The Importance of being consistent
A Wasserman, J Nafziger, K Jiang, MC Kim, E Sim, K Burke
arXiv preprint arXiv:1611.06659, 2016
2016
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Articles 1–20