| Engineering Substrate Interaction To Improve Hydrogen Evolution Catalysis of Monolayer MoS2 Films beyond Pt G Li, Z Chen, Y Li, D Zhang, W Yang, Y Liu, L Cao ACS nano 14 (2), 1707-1714, 2020 | 104 | 2020 |
| The local projection in the density functional theory plus U approach: A critical assessment YC Wang, ZH Chen, H Jiang The Journal of Chemical Physics 144 (14), 2016 | 61 | 2016 |
| Generalized optimized effective potential for orbital functionals and self-consistent calculation of random phase approximations Y Jin, D Zhang, Z Chen, NQ Su, W Yang The journal of physical chemistry letters 8 (19), 4746-4751, 2017 | 28 | 2017 |
| Renormalized Singles Green’s Function in the T-Matrix Approximation for Accurate Quasiparticle Energy Calculation J Li, Z Chen, W Yang The journal of physical chemistry letters 12 (26), 6203-6210, 2021 | 25 | 2021 |
| Self-consistent calculation of the localized orbital scaling correction for correct electron densities and energy-level alignments in density functional theory Y Mei, Z Chen, W Yang The journal of physical chemistry letters 11 (23), 10269-10277, 2020 | 24 | 2020 |
| Multireference density functional theory with generalized auxiliary systems for ground and excited states Z Chen, D Zhang, Y Jin, Y Yang, NQ Su, W Yang The journal of physical chemistry letters 8 (18), 4479-4485, 2017 | 23 | 2017 |
| Molecular dynamics with constrained nuclear electronic orbital density functional theory: Accurate vibrational spectra from efficient incorporation of nuclear quantum effects X Xu, Z Chen, Y Yang Journal of the American Chemical Society 144 (9), 4039-4046, 2022 | 18 | 2022 |
| Incorporating nuclear quantum effects in molecular dynamics with a constrained minimized energy surface Z Chen, Y Yang The Journal of Physical Chemistry Letters 14 (1), 279-286, 2023 | 10 | 2023 |
| LibSC: Library for Scaling Correction Methods in Density Functional Theory Y Mei, J Yu, Z Chen, NQ Su, W Yang Journal of Chemical Theory and Computation 18 (2), 840-850, 2022 | 10 | 2022 |
| Exact Second-Order Corrections and Accurate Quasiparticle Energy Calculations in Density Functional Theory Y Mei, Z Chen, W Yang The journal of physical chemistry letters 12 (30), 7236-7244, 2021 | 10 | 2021 |
| Multireference Density Functional Theory for Describing Ground and Excited States with Renormalized Singles J Li, Z Chen, W Yang The Journal of Physical Chemistry Letters 13 (3), 894-903, 2022 | 9 | 2022 |
| Introductory lecture: when the density of the noninteracting reference system is not the density of the physical system in density functional theory Y Jin, NQ Su, Z Chen, W Yang Faraday discussions 224, 9-26, 2020 | 9 | 2020 |
| Describing proton transfer modes in shared proton systems with constrained nuclear–electronic orbital methods Y Zhang, X Xu, N Yang, Z Chen, Y Yang The Journal of Chemical Physics 158 (23), 2023 | 8 | 2023 |
| Spin-state energetics of iron (II) porphyrin from the particle-particle random phase approximation B Pinter, R Al-Saadon, Z Chen, W Yang The European Physical Journal B 91, 1-10, 2018 | 7 | 2018 |
| Linear Scaling Calculations of Excitation Energies with Active-Space Particle–Particle Random-Phase Approximation J Li, J Yu, Z Chen, W Yang The Journal of Physical Chemistry A 127 (37), 7811-7822, 2023 | 6 | 2023 |
| Calculating vibrational excited state absorptions with excited state constrained minimized energy surfaces Y Wang, Z Chen, Y Yang The Journal of Physical Chemistry A 127 (25), 5491-5501, 2023 | 5 | 2023 |
| Vibrational Spectra of Highly Anharmonic Water Clusters: Molecular Dynamics and Harmonic Analysis Revisited with Constrained Nuclear-Electronic Orbital Methods Y Zhang, Y Wang, X Xu, Z Chen, Y Yang Journal of Chemical Theory and Computation 19 (24), 9358-9368, 2023 | 3 | 2023 |
| Development of a machine learning finite-range nonlocal density functional Z Chen, W Yang The Journal of Chemical Physics 160 (1), 2024 | 1 | 2024 |
Weitao YangPhilip Handler Professor, Department of Chemistry, Duke UniversityVerified email at duke.edu
