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Jerome Gonthier
Postdoc
 
Educational Background

     Ph.D. Chemistry, Ecole Polytechnique Federale de Lausanne, Switzerland, 2014

Awards

     Swiss NSF Postdoctoral Fellowship

Research Interests
  • Open-shell symmetry-adapted perturbation theory
  • Intramolecular symmetry-adapted perturbation theory
 
Representative Publications

``Exploration of Zeroth-Order Wavefunctions and Energies As a First Step Toward Intramolecular Symmetry-Adapted Perturbation Theory,'' J. F. Gonthier and C. Corminboeuf, J. Chem. Phys. 140, 154107 (2014) (doi: 10.1063/1.4871116)

``Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability,'' R. M. Parrish, L. A. Burns, D. G. A. Smith, A. C. Simmonett, A. E. DePrince, E. G. Hohenstein, U. Bozkaya, A. Yu. Sokolov, R. Di Remigio, R. M. Richard, J. F. Gonthier, A. M. James, H. R. McAlexander, A. Kumar, M. Saitow, X. Wang, B. P. Pritchard, P. Verma, H. F. Schaefer, K. Patkowski, R. A. King, E. F. Valeev, F. A. Evangelista, J. M. Turney, T. D. Crawford, and C. D. Sherrill, J. Chem. Theory Comput. 13, 3185-3197 (2017) (doi: 10.1021/acs.jctc.7b00174)

``Density-Fitted Open-Shell Symmetry-Adapted Perturbation Theory and Application to π-Stacking in Benzene Dimer Cation and Ionized DNA Base Pair Steps,'' J. F. Gonthier and C. D. Sherrill, J. Chem. Phys. 145, 134106 (2016) (doi: 10.1063/1.4963385)

``Communication: Practical Intramolecular Symmetry Adapted Perturbation Theory via Hartree-Fock Embedding,'' R. M. Parrish, J. F. Gonthier, C. Corminboeuf, and C. D. Sherrill, J. Chem. Phys. 143, 051103 (2015) (doi: 10.1063/1.4927575)


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