Daniel G. A. Smith

According to our database, Daniel G. A. Smith authored at least 5 papers between 2018 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2026

The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling.

Karmen Condic-Jurkic, Irfan Alibay, Woody Sherman, Mallory R. Tollefson, W. Patrick Walters, Zachary Baker, Lillian T. Chong, Jennifer N. Wei, Jeffrey J. Gray, Brian D. Weitzner, Daniel G. A. Smith, Julia Koehler Leman, Chris Bahl, David L. Mobley

J. Chem. Inf. Model., 2026

2023

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.

Abigail C. Dommer, Lorenzo Casalino, Fiona L. Kearns, Mia A. Rosenfeld, Nicholas Wauer, Surl-Hee Ahn, John Russo, A. Sofia F. Oliveira, Clare Morris, Anthony T. Bogetti, Anda Trifan, Alexander Brace, Terra Sztain, Austin Clyde, Heng Ma, S. Chakra Chennubhotla, Hyungro Lee, Matteo Turilli, Syma Khalid, Teresa Tamayo-Mendoza, Matthew Welborn, Anders S. Christensen, Daniel G. A. Smith, Zhuoran Qiao, Sai K. Sirumalla, Michael O'Connor, Frederick R. Manby, Anima Anandkumar, David J. Hardy, James C. Phillips, Abraham C. Stern, Josh Romero, David Clark, Mitchell Dorrell, Tom Maiden, Lei Huang, John D. McCalpin, Christopher J. Woods, Alan Gray, Matt Williams, Bryan Barker, Harinda Rajapaksha, Richard Pitts, Tom Gibbs, John E. Stone, Daniel M. Zuckerman, Adrian J. Mulholland, Thomas F. Miller III, Shantenu Jha, Arvind Ramanathan, Lillian T. Chong, Rommie E. Amaro

Int. J. High Perform. Comput. Appl., 2023

2020

Multi-task learning for electronic structure to predict and explore molecular potential energy surfaces.

Zhuoran Qiao, Feizhi Ding, Matthew Welborn, Peter J. Bygrave, Daniel G. A. Smith, Animashree Anandkumar, Frederick R. Manby, Thomas F. Miller III

CoRR, 2020

2019

Sharing Data from Molecular Simulations.

Mark James Abraham, Rossen Apostolov, Jonathan Barnoud, Paul Bauer, Christian Blau, Alexandre M. J. J. Bonvin, Matthieu Chavent, John D. Chodera, Karmen Condic-Jurkic, Lucie Delemotte, Helmut Grubmüller, Rebecca J. Howard, E. Joseph Jordan, Erik Lindahl, Samuli Ollila, Jana Selent, Daniel G. A. Smith, Phillip J. Stansfeld, Johanna K. S. Tiemann, Mikaël Trellet, Christopher J. Woods, Artem A. Zhmurov

J. Chem. Inf. Model., 2019

2018

opt\_einsum - A Python package for optimizing contraction order for einsum-like expressions.

Daniel G. A. Smith, Johnnie Gray

J. Open Source Softw., 2018