Daniel G A Smith
6PUBLICATIONS
43CO-AUTHORS
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Publications (6)
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|Aug 01, 2023
MBX: A many-body energy and force calculator for data-driven many-body simulations.Marc Riera, Christopher Knight, Ethan F Bull-Vulpe
|Jul 15, 2022
Implementation of symmetry-adapted perturbation theory based on density functional theory and using hybrid exchange-correlation kernels for dispersion terms.Yi Xie, Daniel G A Smith, C David Sherrill
|Sep 22, 2021
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field.Yudong Qiu, Daniel G A Smith, Simon Boothroyd
|Sep 19, 2019
Sharing Data from Molecular Simulations.Mark Abraham, Rossen Apostolov, Jonathan Barnoud
|Jul 09, 2019
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
|May 18, 2018
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.Daniel G A Smith, Lori A Burns, Dominic A Sirianni
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Frequent Collaborators
2 joint publications
John D Chodera
2 joint publications
Andrew C Simmonett
2 joint publications
Justin M Turney
2 joint publications
Henry F Schaefer
2 joint publications
C David Sherrill
1 joint publications
Francesco Paesani
1 joint publications
Dominic A Sirianni
1 joint publications
Daniel R Nascimento
1 joint publications
Eric J Berquist
1 joint publications
Tyler Y Takeshita
