Thomas Beck

Section Head Science Engagement

Oak Ridge National Laboratory

United States

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Thomas Beck is the Section Head of Science Engagement at Oak Ridge National Laboratory in the United States. His research focuses on high-performance computing and quantum convergence, multi-level Monte Carlo methods, and modeling solvation phenomena. Recent publications include topics on the behavior of liquid water, integrating quantum computing into HPC systems, and advancements in biomolecular simulations with exascale resources.

Articles (17)

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2026

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2021

Collaborators (3)

George W. Gokel

University of Missouri-St. Louis

UNITED STATES

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Kevin Li

Professor

University of Cincinnati

UNITED STATES

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Stephen Lam

Assistant Professor

University of Massachusetts Lowell

UNITED STATES

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Thomas Beck

Research Interests

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About

Articles (17)

Bridging paradigms: Designing for HPC-Quantum convergence

Multi-level Monte Carlo methods in chemical applications with Lennard-Jones potentials and other landscapes with isolated singularities

Modeling Europium (II/III) ion solvation in the LiCl-KCl eutectic mixture with polarizable force fields

Consequences of the failure of equipartition for the p–V behavior of liquid water and the hydration free energy components of a small protein

Integrating quantum computing resources into scientific HPC ecosystems

Structural biology in the age of X-ray free-electron lasers and exascale computing

All-Atom Biomolecular Simulation in the Exascale Era

MD Simulation of Water Using a Rigid Body Description Requires a Small Time Step to Ensure Equipartition

Ensemble Simulations on Leadership Computing Systems

Towards Sustainable Post-Exascale Leadership Computing

An ion specific continuum model on ionic surfactant's binary phase diagram in aqueous solution

Physics guided machine learning for multi-material decomposition of tissues from dual-energy CT scans of simulated breast models with calcifications

A novel inclusion complex of oxybenzone with <i>C</i>-methylresorcin[4]arene deters skin permeation

Deep neural network based quantum simulations and quasichemical theory for accurate modeling of molten salt thermodynamics

Assessment of a host–guest interaction in a bilayer membrane model

Specific Ion Solvation and Pairing Effects in Glycerol Carbonate

Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on Ab Initio Simulation Data

Collaborators (3)

George W. Gokel

Kevin Li

Stephen Lam

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