Statistical mechanics of coarse graining: Estimating dynamical speedups from excess entropies

Thermodynamics and diffusion in size-symmetric and asymmetric dense electrolytes

(2011) Sorin Bastea   JOURNAL OF CHEMICAL PHYSICS

Coarse-graining entropy, forces, and structures

(2011) Joseph F. Rudzinski et al.   JOURNAL OF CHEMICAL PHYSICS

Excess entropy scaling of transport properties in network-forming ionic melts (SiO2 and BeF2)

(2011) Manish Agarwal et al.   JOURNAL OF CHEMICAL PHYSICS

Computational Verification of Two Universal Relations for Simple Ionic Liquids. Kinetic Properties of a Model 2:1 Molten Salt

(2011) J. A. Armstrong et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Entropy of Liquid Water from Ab Initio Molecular Dynamics

(2011) Cui Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thermodynamic, Diffusional, and Structural Anomalies in Rigid-Body Water Models

(2011) Manish Agarwal et al.   JOURNAL OF PHYSICAL CHEMISTRY B

First-principle approach to rescale the dynamics of simulated coarse-grained macromolecular liquids

(2011) I. Lyubimov et al.   PHYSICAL REVIEW E

Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?

(2009) Han Wang et al.   EUROPEAN PHYSICAL JOURNAL E

Assessing thermodynamic-dynamic relationships for waterlike liquids

(2009) Margaret E. Johnson et al.   JOURNAL OF CHEMICAL PHYSICS

Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy

(2009) Aviel Chaimovich et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multiscale modeling of emergent materials: biological and soft matter

(2009) Teemu Murtola et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles

(2009) William P. Krekelberg et al.   PHYSICAL REVIEW E

Excess entropy scaling of transport properties of Lennard-Jones chains

(2008) Teena Goel et al.   JOURNAL OF CHEMICAL PHYSICS

Two-Particle Entropy and Structural Ordering in Liquid Water

(2008) Jan Zielkiewicz   JOURNAL OF PHYSICAL CHEMISTRY B

Water Modeled As an Intermediate Element between Carbon and Silicon†

(2008) Valeria Molinero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Dynamic capillary wetting studied with dissipative particle dynamics

(2008) Claudio Cupelli et al.   NEW JOURNAL OF PHYSICS