Peter T Cummings

5PUBLICATIONS
22CO-AUTHORS
Electrical energy storageComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Transport properties and non-equilibrium processesComputational chemistryFormal methods for software
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Publications (5)

|Oct 17, 2025
Elucidating the Mechanisms of Ion Permeation through Sub-Nanometer Graphene Pores: Uncovering Free Energy Barriers via High-Throughput Molecular Simulations.

Andres F Ordorica, Peifu Cheng, Pavan Chaturvedi

|Oct 10, 2025
On the choice of acceleration amplitude for predicting shear viscosity using the periodic perturbation method.

Lingfeng Gui, Evangelos Tsochantaris, Kieran Nehil-Puleo

|Oct 09, 2025
Structure and dynamics of water-in-salt LiTFSI electrolytes from first-principles molecular dynamics simulations.

Ramanish Singh, Xiaobo Lin, Yong Zhang

|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

|May 01, 2021
MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software.

Ryan S DeFever, Ray A Matsumoto, Alexander W Dowling

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Frequent Collaborators

3 joint publications

Edward J Maginn

2 joint publications

Ramanish Singh

2 joint publications

J Ilja Siepmann

2 joint publications

Clare McCabe