44 citations · 313 across the 19 of their papers we have counts for
19 papers
Designing, Synthesizing and Modeling Active Fluids
Ilham Essafri, Bappa Ghosh, Caroline Desgranges +1
We review recent advances in the design, synthesis, and modeling of active fluids. Active fluids have been at the center of many technological innovations and theoretical advances…
Entropy determination for mixtures in the adiabatic grand-isobaric ensemble
Caroline Desgranges, Jerome Delhommelle
The entropy change that occurs upon mixing two fluids has remained an intriguing topic since the dawn of statistical mechanics. In this work, we generalize the grand-isobaric ensem…
Evaluation of the grand-canonical partition function using Expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of Silicon
Caroline Desgranges, Jerome Delhommelle
We extend Expanded Wang-Landau (EWL) simulations beyond classical systems and develop the EWL method for systems modeled with a tight-binding Hamiltonian. We then apply the method…
Scaling Laws and Critical Properties for and Metals
Caroline Desgranges, Leanna Widhalm, Jerome Delhommelle
The determination of the critical parameters of metals has remained particularly challenging both experimentally, because of the very large temperatures involved, and theoretically…
Free energy calculations along entropic pathways III. Nucleation of capillary bridges and bubbles
Caroline Desgranges, Jerome Delhommelle
Using molecular simulation, we analyze the capillary condensation and evaporation processes for Argon confined in a cylindrical nanopore. For this purpose, we define the entropy of…
Free energy calculations along entropic pathways: II. Droplet nucleation in binary mixtures
Caroline Desgranges, Jerome Delhommelle
Using molecular simulation, we study the nucleation of liquid droplets from binary mixtures and determine the free energy of nucleation along entropic pathways. To this aim, we dev…