Jacob I. Monroe

Citation name

Monroe, J. I.

Affiliation

University of California, Santa Barbara

State

CA

Country

USA

Jacob received a PhD in Chemical Engineering under the supervision of Scott Shell at UCSB, where his work explored the connections between water structure, dynamics, and solvent-mediated interactions. He is currently an NRC Postdoctoral Fellow at NIST working with Vince Shen, where he applies numerical and machine learning techniques to accelerate molecular simulations and improve related methods of analysis.

Authored

(31b) Using Derivative Information from Molecular Simulations to Enhance Predictions of Structural Properties across State Conditions

Jacob I. Monroe

Nathan Mahynski

Vincent K. Shen

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(330h) Variational Autoencoders As a Unifying Framework for Molecular Coarse Graining, Back-Mapping, and on-the-Fly Learning of Efficient Monte Carlo Moves

Jacob I. Monroe

Vincent K. Shen

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(192h) What Is a “Hydrophobic” Solute? a Detailed Examination of Driving Forces for Adsorption of Small, Neutral Solutes at Chemically Patterned Interfaces

Jacob I. Monroe

R. Justin Davis

Dennis Robinson Brown

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(4av) Computational Design of Bimolecular Self-Assembly and Adsorption Behaviors through Thermodynamically Consistent Multiscale Modeling

Jacob I. Monroe

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(103d) Systematic Control of Collective Variables Learned from Variational Autoencoders

Jacob I. Monroe

Vincent K. Shen

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

Associated proceedings

2020 Virtual AIChE Annual Meeting

2021 Annual Meeting

2022 Annual Meeting