Kaili Jiang

Rutgers, The State University of New Jersey — United States

Physics and Astronomy · Physical Sciences

8h-index275citations25works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(15), Machine Learning in Materials Science(10), Spectroscopy and Quantum Chemical Studies(8), Surface and Thin Film Phenomena(4), 2D Materials and Applications(3)

Publications25 total

Entropy is a good approximation to the electronic (static) correlation energy
The Journal of Chemical Physics·2023· 10 citedOpen Access
Supplementary materials for "Entropy is a good approximation to the electronic (static) correlation energy"
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Supplementary materials for "Entropy is a good approximation to the electronic (static) correlation energy"
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
Accelerating equilibration in first-principles molecular dynamics with orbital-free density functional theory
Physical Review Research·2022· 26 citedOpen Access
Efficient time-dependent orbital-free density functional theory: Semilocal adiabatic response
Physical review. B./Physical review. B·2022· 15 citedOpen Access
Supplimentary information for Efficient Time-Dependent Orbital-Free DFT: Semilocal adiabatic response
2022Open Access
Supplimentary information for Efficient Time-Dependent Orbital-Free DFT: Semilocal adiabatic response
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Many-body van der Waals interactions in wet MoS <sub>2</sub> surfaces
Electronic Structure·2022· 3 cited
Supplementary data for "Many-Body van der Waals Interactions in Wet MoS2 Surfaces"
Zenodo (CERN European Organization for Nuclear Research)·2022· 1 citedOpen Access
Supplementary data for "Many-Body van der Waals Interactions in Wet MoS2 Surfaces"
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Supplementary data for "Many-Body van der Waals Interactions in Wet MoS2 Surfaces"
2022· 1 citedOpen Access
Nonlocal and nonadiabatic Pauli potential for time-dependent orbital-free density functional theory
Physical review. B./Physical review. B·2021· 15 citedOpen Access
The importance of nonlocality and nonadiabaticity in the Pauli potential for time-dependent orbital-free density functional theory
arXiv (Cornell University)·2021Open Access
Time-dependent orbital-free density functional theory: Background and Pauli kernel approximations
Physical review. B./Physical review. B·2021· 34 citedOpen Access
Foundations, Reflections and Applications of Time-dependent Orbital-free Density Functional Theory
Bulletin of the American Physical Society·2021
Virial relations in density embedding
International Journal of Quantum Chemistry·2020· 4 cited
Virial Relations in Density Embedding
arXiv (Cornell University)·2020Open Access
Upper bound to the gradient-based kinetic energy density of noninteracting electrons in an external potential
The Journal of Chemical Physics·2019· 6 cited
Constructing a non-additive non-interacting kinetic energy functional approximation for covalent bonds from exact conditions
The Journal of Chemical Physics·2018· 16 citedOpen Access
Constructing fragment-density functionals
Purdue e-Pubs (Purdue University System)·2018
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Frequent Co-authors

Michele Pavanello(15), Xuecheng Shao(13), Adam Wasserman(9), Jonathan Nafziger(7), Alina Umerbekova(4), Jessica A. Martinez B.(3), Min Cheol Kim(2), Eunji Sim(2), Kieron Burke(2), Martín A. Mosquera(2), Yan Oueis(2), Lenz Fiedler(1), Zhandos A. Moldabekov(1), Tobias Dornheim(1), Attila Cangi(1), William C. Witt(1), Emily A. Carter(1)