Jacob I Monroe

Years Active: 2018-2023
Publications (10 Years): 5

National Institute of Standards and Technology

University of California Santa Barbara (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

National Institute of Standards and Technology Oct 15 2019

United States

NRC Postdoctoral Fellow

Education History

University of California Santa Barbara

United States

PHD :: Chemical Engineering

University of Virginia

United States

BSC :: Chemical Engineering

Publications

Jacob I Monroe, William P Krekelberg, Austin McDannald, Vincent K Shen
Leveraging uncertainty estimates and derivative information in Gaussian process regression for efficient collection and use of molecular simulation data. The Journal of chemical physics 158 (16) (2023)
Jacob I Monroe, Vincent K Shen
Learning Efficient, Collective Monte Carlo Moves with Variational Autoencoders. Journal of chemical theory and computation 18 (6) (2022)
Jacob I Monroe, Sally Jiao, R Justin Davis, Dennis Robinson Brown, Lynn E Katz, M Scott Shell
Affinity of small-molecule solutes to hydrophobic, hydrophilic, and chemically patterned interfaces in aqueous solution. Proceedings of the National Academy of Sciences of the United States of America 118 (1) (2021)
Jacob I Monroe, M Scott Shell
Decoding signatures of structure, bulk thermodynamics, and solvation in three-body angle distributions of rigid water models. The Journal of chemical physics 151 (9) (2019)
Efrem Braun, Justin Gilmer, Jacob I Monroe, Samarjeet Prasad, Daniel M Zuckerman
Best Practices for Foundations in Molecular Simulations [Article v1.0]. Living journal of computational molecular science 1 (1) (2018)

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