Tethered-particle model: The calculation of free energies for hard-sphere systems
Aug 11, 2021·
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1 min read
Dr. Craig Moir
Leo Lue
Marcus N. Bannerman
Abstract
Two methods for computing the entropy of hard-sphere systems using a spherical tether model are explored using event-driven molecular dynamics, enabling accurate free-energy estimates across fluid, solid, and glassy states.
Type
Publication
The Journal of Chemical Physics, 155(6), 064504
Open-access publication page and DOI linked above.
