Related Experiment Video

Updated: Sep 2, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Hybrid HPC and Quantum Computing Framework for Multiscale Modeling of Chemical Systems

Joseph C R Thacker1, Mateusz Meller2, Alberto Popescu2

  • 1STFC Scientific Computing, Daresbury Laboratory, Keckwick Lane, Daresbury, WarringtonWA4 4AD, U.K.

Journal of Chemical Theory and Computation
|August 31, 2026
PubMed

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