Jeffrey Potoff

6PUBLICATIONS
22CO-AUTHORS
Chemical thermodynamics and energeticsComputational chemistryTheoretical quantum chemistryFormal methods for softwareRadiation and matter
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Publications (6)

|Sep 29, 2025
Extension of Molecular Exchange Monte Carlo for the Prediction of Liquid-Liquid Equilibria in Gibbs Ensemble Monte Carlo Simulations.

Mohammad Soroush Barhaghi, Loren Schwiebert, Jeffrey J Potoff

|Jun 18, 2025
Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF).

Nicholas C Craven, Ramanish Singh, Co D Quach

|Oct 19, 2023
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions.

Alexey Illarionov, Serzhan Sakipov, Leonid Pereyaslavets

|Feb 15, 2023
MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC.

Brad Crawford, Umesh Timalsina, Co D Quach

|Dec 05, 2022
Transferable Force Fields from Experimental Scattering Data with Machine Learning Assisted Structure Refinement.

Brennon L Shanks, Jeffrey J Potoff, Michael P Hoepfner

|May 27, 2022
py-MCMD: Python Software for Performing Hybrid Monte Carlo/Molecular Dynamics Simulations with GOMC and NAMD.

Mohammad Soroush Barhaghi, Brad Crawford, Gregory Schwing

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