95 citations · 437 across the 17 of their papers we have counts for
17 papers
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…
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…
The dilute interacting Bose gas : comparisons between Feynman diagrammatic expansion and the hierarchy equations for the imaginary time Green functions
Victor Dansage, Vincent Ballenegger, Angel Alastuey
We analyze the correspondence between two formalisms describing an interacting Bose gas, namely the standard Feynman diagrammatic expansion on the one hand, and the hierarchy equat…
Screened activity expansion for the grand-potential of a quantum plasma and how to derive approximate equations of state compatible with electroneutrality
A. Alastuey, V. Ballenegger, D. Wendland
We consider a quantum multi-component plasma made with S species of point charged particles interacting via the Coulomb potential. We derive the screened activity series for the pr…
Screened activity expansion for the pressure of a quantum multi-component plasma and consistency with the local charge neutrality
A. Alastuey, V. Ballenegger, D. Wendland
We consider a quantum multi-component plasma made of point charged particles interacting via the two-body Coulomb potential. Within the Feynman-Kac path integral representation of…
Cage occupancies in nitrogen clathrate hydrates from Monte Carlo simulations
Vincent Ballenegger
Comparisons of Gibbs ensemble Monte Carlo simulations with experimental data for the cage occupancies in N2 clathrate hydrates are performed to assess the accuracy of such simulati…