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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 118, 2020 - Issue 9-10: Thermodynamics 2019 Conference
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Molecular Physics Lecture

Towards molecular simulations that are transparent, reproducible, usable by others, and extensible (TRUE)

Matthew W. Thompsona Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN, USA;b Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, TN, USAView further author information
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Justin B. Gilmera Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN, USA;b Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, TN, USAView further author information
,
Ray A. Matsumotoa Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN, USA;b Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, TN, USAView further author information
,
Co D. Quacha Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN, USA;b Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, TN, USAView further author information
,
Parashara Shamaprasada Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN, USA;b Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, TN, USAView further author information
,
Alexander H. Yanga Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN, USA;b Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, TN, USAView further author information
,
Christopher R. Iacovellaa Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN, USA;b Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, TN, USAView further author information
,
Clare McCabea Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN, USA;b Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, TN, USAView further author information
&
Peter T. Cummingsa Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN, USA;b Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, TN, USACorrespondence[email protected]
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Article: e1742938 | Received 03 Mar 2020, Accepted 05 Mar 2020, Published online: 08 Apr 2020

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