Daniel Ga Smith

Daniel Ga Smith

Auburn University - Auburn / United States
Natural Sciences / Molecular Biology & Genetics
AD Scientific Index ID: 839381
person_outline Daniel Ga Smith's MOST POPULAR ARTICLES
1-) Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability Journal of chemical theory and computation 13 (7), 3185-3197, 2017
2-) Psi4 1.4: Open-source software for high-throughput quantum chemistry The Journal of Chemical Physics 152 (18), 184108, 2020
3-) Revised damping parameters for the D3 dispersion correction to density functional theory The journal of physical chemistry letters 7 (12), 2197-2203, 2016
4-) Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development Journal of chemical theory and computation 14 (7), 3504-3511, 2018
5-) Development and Benchmarking of Open Force Field v1. 0.0—the Parsley Small-Molecule Force Field Journal of Chemical Theory and Computation 17 (10), 6262-6280, 2021