C David Sherrill

16PUBLICATIONS
80CO-AUTHORS
Programming languagesTheoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterComputational chemistryNumerical solution of differential and integral equations
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Journal

Publications (16)

|Dec 02, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs.

Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick

|Jul 09, 2021
Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory.

Jeffrey B Schriber, Dominic A Sirianni, Daniel G A Smith

|Jul 09, 2021
Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles.

Zachary L Glick, Alexios Koutsoukas, Daniel L Cheney

|Jul 09, 2021
CLIFF: A component-based, machine-learned, intermolecular force field.

Jeffrey B Schriber, Daniel R Nascimento, Alexios Koutsoukas

|Aug 06, 2020
AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials.

Zachary L Glick, Derek P Metcalf, Alexios Koutsoukas

|May 17, 2020
Psi4 1.4: Open-source software for high-throughput quantum chemistry.

Daniel G A Smith, Lori A Burns, Andrew C Simmonett

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Frequent Collaborators

6 joint publications

Lori A Burns

5 joint publications

Daniel G A Smith

4 joint publications

Jeffrey B Schriber

4 joint publications

Todd J Martínez