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Zach Glick
Group Position: Graduate Student
 
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

Awards

     Presidential Fellowship, Georgia Tech

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

``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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