| Robust gold nanorods stabilized by bidentate N-heterocyclic-carbene–thiolate ligands MJ MacLeod, AJ Goodman, HZ Ye, HVT Nguyen, T Van Voorhis, ... Nature Chemistry 11 (1), 57-63, 2019 | 127 | 2019 |
| Electrochemically mediated carbon dioxide separation with quinone chemistry in salt-concentrated aqueous media Y Liu, HZ Ye, KM Diederichsen, T Van Voorhis, TA Hatton Nature communications 11 (1), 2278, 2020 | 121 | 2020 |
| Polymers with side chain porosity for ultrapermeable and plasticization resistant materials for gas separations Y He, FM Benedetti, S Lin, C Liu, Y Zhao, HZ Ye, T Van Voorhis, ... Advanced Materials 31 (21), 1807871, 2019 | 87 | 2019 |
| σ-SCF: A direct energy-targeting method to mean-field excited states HZ Ye, M Welborn, ND Ricke, T Van Voorhis The Journal of Chemical Physics 147 (21), 214104, 2017 | 74 | 2017 |
| Photoswitchable Sol–Gel Transitions and Catalysis Mediated by Polymer Networks with Coumarin‐Decorated Cu24L24 Metal–Organic Cages as Junctions NJ Oldenhuis, KP Qin, S Wang, HZ Ye, EA Alt, AP Willard, T Van Voorhis, ... Angewandte Chemie International Edition 59 (7), 2784-2792, 2020 | 62 | 2020 |
| Correlation-consistent Gaussian basis sets for solids made simple HZ Ye, TC Berkelbach Journal of Chemical Theory and Computation 18 (3), 1595-1606, 2022 | 40 | 2022 |
| Bootstrap embedding for molecules HZ Ye, ND Ricke, HK Tran, T Van Voorhis Journal of chemical theory and computation 15 (8), 4497-4506, 2019 | 38 | 2019 |
| Half-projected σ self-consistent field for electronic excited states HZ Ye, T Van Voorhis Journal of chemical theory and computation 15 (5), 2954-2965, 2019 | 36 | 2019 |
| Fast periodic Gaussian density fitting by range separation HZ Ye, TC Berkelbach The Journal of Chemical Physics 154 (13), 2021 | 33 | 2021 |
| Monte-Carlo simulations of spin-crossover phenomena based on a vibronic Ising-like model with realistic parameters HZ Ye, C Sun, H Jiang Physical Chemistry Chemical Physics 17 (10), 6801-6808, 2015 | 33 | 2015 |
| Data-efficient machine learning potentials from transfer learning of periodic correlated electronic structure methods: Liquid water at AFQMC, CCSD, and CCSD (T) accuracy MS Chen, J Lee, HZ Ye, TC Berkelbach, DR Reichman, TE Markland Journal of Chemical Theory and Computation 19 (14), 4510-4519, 2023 | 32 | 2023 |
| Performance of Bootstrap Embedding for long-range interactions and 2D systems N Ricke, M Welborn, HZ Ye, T Van Voorhis Molecular Physics 115 (17-18), 2242-2253, 2017 | 26 | 2017 |
| Atom-based bootstrap embedding for molecules HZ Ye, T Van Voorhis The journal of physical chemistry letters 10 (20), 6368-6374, 2019 | 24 | 2019 |
| An N‐Heterocyclic‐Carbene‐Derived Distonic Radical Cation NM Gallagher, HZ Ye, S Feng, J Lopez, YG Zhu, T Van Voorhis, ... Angewandte Chemie International Edition 59 (10), 3952-3955, 2020 | 22 | 2020 |
| Ground-state properties of metallic solids from ab initio coupled-cluster theory VA Neufeld, HZ Ye, TC Berkelbach The journal of physical chemistry letters 13 (32), 7497–7503, 2022 | 19 | 2022 |
| Incremental embedding: A density matrix embedding scheme for molecules HZ Ye, M Welborn, ND Ricke, T Van Voorhis The Journal of Chemical Physics 149 (19), 194108, 2018 | 19 | 2018 |
| Bootstrap embedding for large molecular systems HZ Ye, HK Tran, T Van Voorhis Journal of Chemical Theory and Computation 16 (8), 5035-5046, 2020 | 18 | 2020 |
| Integral-direct Hartree-Fock and M {\o} ller-Plesset Perturbation Theory for Periodic Systems with Density Fitting: Application to the Benzene Crystal SJ Bintrim, TC Berkelbach, HZ Ye Journal of Chemical Theory and Computation 18 (9), 5374–5381, 2022 | 16 | 2022 |
| Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions HZ Ye, TC Berkelbach The Journal of Chemical Physics 155 (12), 2021 | 15 | 2021 |
| Diabatic Valence-Hole States in the C2 Molecule: “Putting Humpty Dumpty Together Again” J Jiang, HZ Ye, K Nauta, T Van Voorhis, TW Schmidt, RW Field The Journal of Physical Chemistry A 126 (20), 3090-3100, 2022 | 14 | 2022 |
Troy Van VoorhisMIT在 mit.edu 的电子邮件经过验证
