Thomas L Beck

13PUBLICATIONS
12CO-AUTHORS
Electrical energy generation (incl. renewables, excl. photovoltaics)Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Transport properties and non-equilibrium processesEvolutionary computationTheoretical quantum chemistry
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Publications (13)

|Feb 19, 2026
Harnessing Quantum Computing for Energy Materials: Opportunities and Challenges.

Seongmin Kim, In-Saeng Suh, Travis S Humble

|Jan 05, 2026
Equipartition and the Temperature of Maximum Density of TIP4P/2005 Water.

Dilipkumar N Asthagiri, Thiago Pinheiro Dos Santos, Thomas L Beck

|Mar 31, 2025
Consequences of the failure of equipartition for the <i>p</i>-<i>V</i> behavior of liquid water and the hydration free energy components of a small protein.

Dilipkumar N Asthagiri, Arjun Valiya Parambathu, Thomas L Beck

|Feb 21, 2024
All-Atom Biomolecular Simulation in the Exascale Era.

Thomas L Beck, Paolo Carloni, Dilipkumar N Asthagiri

|Dec 29, 2023
MD Simulation of Water Using a Rigid Body Description Requires a Small Time Step to Ensure Equipartition.

Dilipkumar N Asthagiri, Thomas L Beck

|Aug 03, 2022
Deep neural network based quantum simulations and quasichemical theory for accurate modeling of molten salt thermodynamics.

Yu Shi, Stephen T Lam, Thomas L Beck

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Frequent Collaborators

5 joint publications

Dilipkumar N Asthagiri

2 joint publications

Yu Shi

1 joint publications

Laura Sagle

1 joint publications

Seongmin Kim