| The importance of being inconsistent A Wasserman, J Nafziger, K Jiang, MC Kim, E Sim, K Burke Annual review of physical chemistry 68 (1), 555-581, 2017 | 129 | 2017 |
| Silicene nanomesh F Pan, Y Wang, K Jiang, Z Ni, J Ma, J Zheng, R Quhe, J Shi, J Yang, ... Scientific reports 5 (1), 9075, 2015 | 55 | 2015 |
| 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 | 54 | 2021 |
| Time-dependent orbital-free density functional theory: Background and Pauli kernel approximations K Jiang, M Pavanello Physical Review B 103, 245102, 2021 | 29 | 2021 |
| 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 | 26 | 2017 |
| 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, ... Physical Review Research 4 (4), 043033, 2022 | 22 | 2022 |
| 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), 2018 | 15 | 2018 |
| 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 | 15 | 2018 |
| 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 | 13 | 2021 |
| Efficient time-dependent orbital-free density functional theory: Semilocal adiabatic response K Jiang, X Shao, M Pavanello Physical Review B 106 (11), 115153, 2022 | 12 | 2022 |
| Virial relations in density embedding K Jiang, MA Mosquera, Y Oueis, A Wasserman International Journal of Quantum Chemistry, e26204, 2020 | 7 | 2020 |
| Entropy is a good approximation to the electronic (static) correlation energy JA Martinez B, X Shao, K Jiang, M Pavanello The Journal of Chemical Physics 159 (19), 2023 | 6 | 2023 |
| 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 | 6 | 2019 |
| Many-body van der Waals interactions in wet MoS2 surfaces X Shao, A Umerbekova, K Jiang, M Pavanello Electronic Structure 4 (2), 024001, 2022 | 2 | 2022 |
| Nonlocal and Nonadiabatic Time-dependent Pauli Potential K Jiang, X Shao, M Pavanello APS March Meeting Abstracts 2022, T01. 002, 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 |
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