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Zach Glick
Group Position: Graduate Student
Lavo Life Sciences
Educational Background
  • B.S. Chemistry, Washington University in St. Louis, 2018
  • B.S. Computer Science, Washington University in St. Louis, 2018
  • Ph.D. Chemistry, Georgia Tech, 2022
PhD. Thesis

     Affordable Quantum Chemistry via Data-Driven and Local Approximations to Non-Covalent Interactions


     Presidential Fellowship, Georgia Tech

Research Interests
  • Focal-point methods
  • Machine-learning potentials
  • Local correlation methods
Representative Publications

``A Quantum Chemical Interaction Energy Dataset for Accurately Modeling Protein-Ligand Interactions,'' S. A. Spronk, Z. L. Glick, D. P. Metcalf, C. D. Sherrill, and D. L. Cheney, Sci. Data 10, 619 (2023) (doi: 10.1038/s41597-023-02443-1)

``Approximating Large-Basis Coupled-Cluster Theory Vibrational Frequencies Using Focal-Point Approximations,'' P. M. Nelson, Z. L. Glick, and C. D. Sherrill, J. Chem. Phys. 159, 094104 (2023) (doi: 10.1063/5.0168608)

``A Quantitative Assessment of Deformation Energy in Intermolecular Interactions: How Important Is It?,'' C. T. Sargent, R. Kasera, Z. L. Glick, C. D. Sherrill, and D. L. Cheney, J. Chem. Phys. 158, 244106 (2023) (doi: 10.1063/5.0155895)

``Benchmark Coupled-Cluster Lattice Energy of Crystalline Benzene and Assessment of Multi-Level Approximations in the Many-Body Expansion,'' C. H. Borca, Z. L. Glick, D. P. Metcalf, L. A. Burns, and C. D. Sherrill, J. Chem. Phys. 158, 234102 (2023) (doi: 10.1063/5.0159410)

``Assessment of Three-Body Dispersion Models Against Coupled-Cluster Benchmarks for Crystalline Benzene, Carbon Dioxide, and Triazine,'' Y. Xie, Z. L. Glick, and C. D. Sherrill, J. Chem. Phys. 158, 094110 (2023) (doi: 10.1063/5.0143712)

``Benchmarking Two-Body Contributions to Crystal Lattice Energies and a Range-Dependent Assessment of Approximate Methods,'' C. T. Sargent, D. P. Metcalf, Z. L. Glick, C. H. Borca, and C. D. Sherrill, J. Chem. Phys. 158, 054112 (2023) (doi: 10.1063/5.0141872)

``Range-Dependence of Two-Body Intermolecular Interactions and Their Energy Components in Molecular Crystals,'' D. P. Metcalf, A. Smith, Z. L. Glick, and C. D. Sherrill, J. Chem. Phys. 157, 084503 (2022) (doi: 10.1063/5.0103644)

``Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and Interoperability Among Computational Chemistry Programs,'' D. G. A. Smith, A. T. Lolinco, Z. L. Glick, J. Lee, A. Alenaizan, T. A. Barnes, C. H. Borca, R. Di Remigio, D. L. Dotson, S. Ehlert, A. G. Heide, M. F. Herbst, J. Hermann, C. B. Hicks, J. T. Horton, A. G. Hurtado, P. Kraus, H. Kruse, S. J. R. Lee, J. P. Misiewicz, L. N. Naden, F. Ramezanghorbani, M. Scheurer, J. B. Schriber, A. C. Simmonett, J. Steinmetzer, J. R. Wagner, L. Ward, M. Welborn, D. Atlarawy, J. Anwar, J. D. Chodera, A. Dreuw, H. T. Kulik, F. Liu, T. J. Martínez, D. A. Matthews, H. F. Schaefer, J. Šponer, J. T. Turney, L.-P. Wang, N. De Silva, R. A. King, J. F. Stanton, M. S. Gordon, T. L. Windus, C. D. Sherrill, and L. A. Burns, J. Chem. Phys. 155, 204801 (2021) (doi: 10.1063/5.0059356)

``Cartesian Message Passing Neural Networks for Directional Properties: Fast and Transferable Atomic Multipoles,'' Z. L. Glick, A. Koutsoukas, D. L. Cheney, and C. D. Sherrill, J. Chem. Phys. 154, 224013 (2021) (doi: 10.1063/5.0050444)

``AP-Net: An Atomic-Pairwise Neural Network for Smooth and Transferable Interaction Potentials,'' Z. L. Glick, D. P. Metcalf, A. Koutsoukas, S. A. Spronk, D. L. Cheney, and C. D. Sherrill, J. Chem. Phys. 153, 044112 (2020) (doi: 10.1063/5.0011521)

`` PSI4 1.4: Open-Source Software for High-Throughput Quantum Chemistry,'' D. G. A. Smith, L. A. Burns, A. C. Simmonett, R. M. Parrish, M. C. Schieber, R. Galvelis, P. Kraus, H. Kruse, R. Di Remigio, A. Alenaizan, A. M. James, S. Lehtola, J. P. Misiewicz, M. Scheurer, R. A. Shaw, J. B. Schriber, Y. Xie, Z. L. Glick, D. A. Sirianni, J. S. O'Brien, J. M. Waldrop, A. Kumar, E. G. Hohenstein, B. P. Pritchard, B. R. Brooks, H. F. Schaefer, A. Yu. Sokolov, K. Patkowski, A. E. DePrince, U. Bozkaya, R. A. King, F. A. Evangelista, J. M. Turney, T. D. Crawford, and C. D. Sherrill, J. Chem. Phys. 152, 184108 (2020) (doi: 10.1063/5.0006002)

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