The journal of physical chemistry. A
Modeling Equilibrium Solid-Liquid Interfaces under Effective Constant Chemical Potential Using Machine Learning Interatomic Potentials.
Ademola Soyemi, Khagendra Baral, Tibor Szilvási
Published: 202510.1021/acs.jpca.5c06453
Abstract
The chemical potential (μ) of species in solution is essential for understanding various chemical processes at interfaces. Molecular dynamics (MD) simulations, constrained by fixed compositions, cannot maintain constant chemical potential with refere…
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