Derek P Metcalf
Affiliations: | Georgia Institute of Technology, Atlanta, GA |
Area:
ChemistryGoogle:
"Derek Metcalf"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| C. David Sherrill | grad student | 2018-2023 | Georgia Tech (Chemistry Tree) |
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| Spronk SA, Glick ZL, Metcalf DP, et al. (2023) A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions. Scientific Data. 10: 619 |
| Borca CH, Glick ZL, Metcalf DP, et al. (2023) Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion. The Journal of Chemical Physics. 158 |
| Sargent CT, Metcalf DP, Glick ZL, et al. (2023) Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods. The Journal of Chemical Physics. 158: 054112 |
| Metcalf DP, Smith A, Glick ZL, et al. (2022) Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals. The Journal of Chemical Physics. 157: 084503 |
| Metcalf DP, Jiang A, Spronk SA, et al. (2020) Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge. Journal of Chemical Information and Modeling |
| Glick ZL, Metcalf DP, Koutsoukas A, et al. (2020) AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials. The Journal of Chemical Physics. 153: 044112 |
| Metcalf DP, Koutsoukas A, Spronk SA, et al. (2020) Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory. The Journal of Chemical Physics. 152: 074103 |