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Dominic Sirianni
Group Position: Graduate Student
Postdoc, University of Richmond
Educational Background
  • B.S. Chemistry, Edinboro University of Pennsylvania, 2015
  • B.S. Mathematics, Edinboro University of Pennsylvania, 2015
PhD. Thesis

     Electronic Structure Methods for Studying Non-Covalent Interactions in Complex Chemical Environments

  • Larry S. O'Hara Fellowship Recipient, College of Sciences, Georgia Institute of Technology
  • Presidential Fellow, Georgia Institute of Technology
  • Honorable Mention, 2015 NSF Graduate Research Fellowship Program
Research Interests
  • Ab initio force field development
  • Ab initio drug design
  • Non-covalent interactions in biochemical systems
Representative Publications

``The Influence of a Solvent Environment On Direct Non-Covalent Interactions Between Two Molecules: A Symmetry-Adapted Perturbation Theory Study of Polarization Tuning of π-π Interactions by Water,'' D. A. Sirianni, X. Zhu, D. F. Sitkoff, D. L. Cheney, and C. D. Sherrill, J. Chem. Phys. 156, 194306 (2022) (doi: 10.1063/5.0087302)

``Optimized Damping Parameters for Empirical Dispersion Corrections to Symmetry-Adapted Perturbation Theory,'' J. B. Schriber, D. A. Sirianni, D. G. A. Smith, L. A. Burns, D. Sitkoff, D. L. Cheney, and C. D. Sherrill, J. Chem. Phys. 154, 234107 (2021) (doi: 10.1063/5.0049745)

`` 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)

``Tipping the Balance Between S-π and O-π Interactions,'' J. Hwang, P. Li, M. D. Smith, C. E. Warden, D. A. Sirianni, E. C. Vik, J. M. Maier, C. J. Yehl, C. D. Sherrill, and K. D. Shimizu, J. Am. Chem. Soc. 140, 13301-13307 (2018) (doi: 10.1021/jacs.8b07617)

`` PSI4NUMPY: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development,'' D. G. A. Smith, L. A. Burns, D. A. Sirianni, D. R. Nascimento, A. Kumar, A. M. James, J. B. Schriber, T. Zhang, B. Zhang, A. S. Abbott, E. J. Berquist, M. H. Lechner, L. A. Cunha, A. G. Heide, J. M. Waldrop, T. Y. Takeshita, A. Alenaizan, D. Neuhauser, R. A. King, A. C. Simmonett, J. M. Turney, H. F. Schaefer, F. A. Evangelista, A. E. DePrince, T. D. Crawford, K. Patkowski, and C. D. Sherrill, J. Chem. Theory Comput. 14, 3504-3511 (2018) (doi: 10.1021/acs.jctc.8b00286)

``Assessment of Density Functional Methods for Geometry Optimization of Biomolecular Van Der Waals Complexes,'' D. A. Sirianni, A. Alenaizan, D. L. Cheney, and C. D. Sherrill, J. Chem. Theory Comput. 14, 3004-3013 (2018) (doi: 10.1021/acs.jctc.8b00114)

``Comparison of Explicitly Correlated Methods for Computing High-Accuracy Benchmark Energies for Noncovalent Interactions,'' D. A. Sirianni, L. A. Burns, and C. D. Sherrill, J. Chem. Theory Comput. 13, 86-99 (2017) (doi: 10.1021/acs.jctc.6b00797)

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