2 papers
physics.chem-ph2026
Free energy differences and coexistence of clathrate structures II and H via lattice-switch Monte Carlo
Olivia S. Moro, Nigel B. Wilding, Vincent Ballenegger
We introduce a simulation technique to compute the free energy difference between two hydrate structures of different stoichiometry connected to a reservoir of gas molecules at a p…
cond-mat.stat-mech2023
Sensitivity of solid phase stability to the interparticle potential range: studies of a new Lennard-Jones like model
Olivia S. Moro, Vincent Ballenegger, Tom L. Underwood +1
In a recent article, Wang et al (Phys. Chem. Chem. Phys., 22, 10624 (2020)) introduced a new class of interparticle potential for molecular simulations. The potential is defined by…