| PSI4 1.4: Open-source software for high-throughput quantum chemistry DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ... The Journal of chemical physics 152 (18), 2020 | 658 | 2020 |
| AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials ZL Glick, DP Metcalf, A Koutsoukas, SA Spronk, DL Cheney, CD Sherrill The Journal of Chemical Physics 153 (4), 2020 | 61 | 2020 |
| Quantum chemistry common driver and databases (QCDB) and quantum chemistry engine (QCEngine): Automation and interoperability among computational chemistry programs DGA Smith, AT Lolinco, ZL Glick, J Lee, A Alenaizan, TA Barnes, ... The Journal of chemical physics 155 (20), 2021 | 34 | 2021 |
| Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles ZL Glick, A Koutsoukas, DL Cheney, CD Sherrill The Journal of Chemical Physics 154 (22), 2021 | 21 | 2021 |
| A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions SA Spronk, ZL Glick, DP Metcalf, CD Sherrill, DL Cheney Scientific Data 10 (1), 619, 2023 | 11 | 2023 |
| Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion CH Borca, ZL Glick, DP Metcalf, LA Burns, CD Sherrill The Journal of Chemical Physics 158 (23), 2023 | 7 | 2023 |
| Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals DP Metcalf, A Smith, ZL Glick, CD Sherrill The Journal of Chemical Physics 157 (8), 2022 | 5 | 2022 |
| Assessment of three-body dispersion models against coupled-cluster benchmarks for crystalline benzene, carbon dioxide, and triazine Y Xie, ZL Glick, CD Sherrill The Journal of Chemical Physics 158 (9), 2023 | 3 | 2023 |
| Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods CT Sargent, DP Metcalf, ZL Glick, CH Borca, CD Sherrill The Journal of Chemical Physics 158 (5), 2023 | 3 | 2023 |
| A quantitative assessment of deformation energy in intermolecular interactions: How important is it? CT Sargent, R Kasera, ZL Glick, CD Sherrill, DL Cheney The Journal of Chemical Physics 158 (24), 2023 | 2 | 2023 |
| Directional ΔG Neural Network (DrΔG-Net): A Modular Neural Network Approach to Binding Free Energy Prediction DP Metcalf, ZL Glick, A Bortolato, A Jiang, DL Cheney, CD Sherrill Journal of Chemical Information and Modeling 64 (6), 1907-1918, 2024 | 1 | 2024 |
| A Physics-Aware Neural Network for Protein-Ligand Interactions with Quantum Chemical Accuracy Z Glick, D Metcalf, C Sargent, S Spronk, A Koutsoukas, D Cheney, ... | 1 | 2024 |
| Approximating large-basis coupled-cluster theory vibrational frequencies using focal-point approximations PM Nelson, ZL Glick, CD Sherrill The Journal of Chemical Physics 159 (9), 2023 | 1 | 2023 |
| Reinterpretation of the electronic absorption spectrum of the methylene amidogen radical (H2CN) AS Abbott, ZL Glick, HF Schaefer The Journal of chemical physics 149 (9), 2018 | 1 | 2018 |
| Broadening access to small-molecule parameterization with the force field toolkit Y Zeng, A Pavlova, PM Nelson, ZL Glick, L Yang, YT Pang, M Spivak, ... The Journal of Chemical Physics 160 (24), 2024 | | 2024 |
| Accurate and Efficient Open-Source Implementation of Domain-Based Local Pair Natural Orbital (DLPNO) Coupled-Cluster Theory Using a t1-Transformed Hamiltonian A Jiang, Z Glick, D Poole, J Turney, D Sherrill, H Schaefer | | 2024 |
| Multi-level approximations in the many-body expansion AIP/123-QED CH Borca, ZL Glick, DP Metcalf, LA Burns, C David | | |
David SherrillRegents' Professor, Chemistry and Computational Science, Georgia Tech在 gatech.edu 的电子邮件经过验证
David SherrillRegents' Professor, Chemistry and Computational Science, Georgia Tech在 gatech.edu 的电子邮件经过验证
Derek MetcalfGeorgia Institute of Technology在 gatech.edu 的电子邮件经过验证