Daniel G. A. Smith

<scp>Psi4</scp> 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

Robert M. Parrish, Lori A. Burns, Daniel G. A. Smith et al. · Journal of Chemical Theory and Computation · 2017 · 1.2K citations · Full text

Engineering, Physics, Electronic Design Automation +13

P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry

Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett et al. · The Journal of Chemical Physics · 2020 · 923 citations · Full text

Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory

Daniel G. A. Smith, Lori A. Burns, Konrad Patkowski et al. · The Journal of Physical Chemistry Letters · 2016 · 521 citations

Numerical Analysis, Benchmark Interaction Energies, Engineering +16

Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field

Yudong Qiu, Daniel G. A. Smith, Simon Boothroyd et al. · Journal of Chemical Theory and Computation · 2021 · 163 citations · Full text

Engineering, Computational Chemistry, Chemistry +20

P <scp>si</scp> 4N <scp>um</scp> P <scp>y</scp> : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

Daniel G. A. Smith, Lori A. Burns, Dominic A. Sirianni et al. · Journal of Chemical Theory and Computation · 2018 · 151 citations