Adam S. Abbott

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

PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

Adam S. Abbott, Justin M. Turney, Boyi Zhang et al. · Journal of Chemical Theory and Computation · 2019 · 77 citations

Engineering, Machine Learning Models, Computational Chemistry +16

Arbitrary-Order Derivatives of Quantum Chemical Methods via Automatic Differentiation

Adam S. Abbott, Boyi Z. Abbott, Justin M. Turney et al. · The Journal of Physical Chemistry Letters · 2021 · 32 citations · Full text

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

Daniel G. A. Smith, Lori A. Burns, Dominic A. Sirianni et al. · 2018 · 32 citations · Full text

Engineering, Efficient Computational Kernels, Computational Chemistry +18

The addition of methanol to Criegee intermediates

Gustavo J. R. Aroeira, Adam S. Abbott, Sarah N. Elliott et al. · Physical Chemistry Chemical Physics · 2019 · 23 citations · Full text