22 results on '"Desgranges, Caroline"'
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2. Entropy determination for mixtures in the adiabatic grand-isobaric ensemble
3. Entropy production in model colloidal suspensions under shear via the fluctuation theorem
4. The central role of entropy in adiabatic ensembles and its application to phase transitions in the grand-isobaric adiabatic ensemble
5. Unraveling liquid polymorphism in silicon driven out-of-equilibrium
6. Communication: Existence and control of liquid polymorphism in methanol under shear
7. A new approach for the prediction of partition functions using machine learning techniques
8. Prediction of the phase equilibria for island-type asphaltenes via HMC-WL simulations
9. Modeling antigen-antibody nanoparticle bioconjugates and their polymorphs
10. Free energy calculations along entropic pathways. III. Nucleation of capillary bridges and bubbles
11. Free energy calculations along entropic pathways. II. Droplet nucleation in binary mixtures
12. Free energy calculations along entropic pathways. I. Homogeneous vapor-liquid nucleation for atomic and molecular systems
13. Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. V. Impact of an electric field on the thermodynamic properties and ideality contours of water
14. 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
15. Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. III. Impact of combining rules on mixtures properties
16. Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. I. Thermodynamic properties in the bulk and at the liquid-vapor phase boundary
17. Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. II. Adsorption of atomic and molecular fluids in a porous material
18. Nucleation and growth of C60 nanoparticles from the supersaturated vapor and from the undercooled liquid: A molecular simulation study
19. Phase equilibria of molecular fluids via hybrid Monte Carlo Wang–Landau simulations: Applications to benzene and n-alkanes
20. Shear viscosity of liquid copper at experimentally accessible shear rates: Application of the transient-time correlation function formalism
21. Molecular simulation of the crystallization of aluminum from the supercooled liquid
22. Polymorph selection during the crystallization of Yukawa systems
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