Jacob I Monroe
5PUBLICATIONS
9CO-AUTHORS
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Publications (5)
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|Apr 27, 2023
Leveraging uncertainty estimates and derivative information in Gaussian process regression for efficient collection and use of molecular simulation data.Jacob I Monroe, William P Krekelberg, Austin McDannald
|Sep 08, 2022
Systematic control of collective variables learned from variational autoencoders.Jacob I Monroe, Vincent K Shen
|May 25, 2022
Learning Efficient, Collective Monte Carlo Moves with Variational Autoencoders.Jacob I Monroe, Vincent K Shen
|Dec 29, 2020
Affinity of small-molecule solutes to hydrophobic, hydrophilic, and chemically patterned interfaces in aqueous solution.Jacob I Monroe, Sally Jiao, R Justin Davis
|Dec 03, 2019
Best Practices for Foundations in Molecular Simulations [Article v1.0].Efrem Braun, Justin Gilmer, Heather B Mayes
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Frequent Collaborators
3 joint publications
Justin Gilmer
1 joint publications
Efrem Braun
1 joint publications
Samarjeet Prasad
1 joint publications
Daniel M Zuckerman
1 joint publications
Sally Jiao
1 joint publications
Dennis Robinson Brown
1 joint publications
M Scott Shell
1 joint publications
William P Krekelberg
1 joint publications
Austin McDannald
