Microscopic derivation of particle-based coarse-grained dynamics

The multiscale coarse-graining method. X. Improved algorithms for constructing coarse-grained potentials for molecular systems

(2012) Avisek Das et al.   JOURNAL OF CHEMICAL PHYSICS

Systematic coarse-graining of potential energy landscapes and dynamics in liquids

(2012) M. Scott Shell   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. VIII. Multiresolution hierarchical basis functions and basis function selection in the construction of coarse-grained force fields

(2012) Avisek Das et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. IX. A general method for construction of three body coarse-grained force fields

(2012) Avisek Das et al.   JOURNAL OF CHEMICAL PHYSICS

Application of the projection operator formalism to non-Hamiltonian dynamics

(2011) Jianhua Xing et al.   JOURNAL OF CHEMICAL PHYSICS

Derivation of the generalized Langevin equation in nonstationary environments

(2011) Shinnosuke Kawai et al.   JOURNAL OF CHEMICAL PHYSICS

Bottom-up coarse-graining of a simple graphene model: The blob picture

(2011) David Kauzlarić et al.   JOURNAL OF CHEMICAL PHYSICS

Semi-bottom-up coarse graining of water based on microscopic simulations

(2011) Lianghui Gao et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-graining errors and numerical optimization using a relative entropy framework

(2011) Aviel Chaimovich et al.   JOURNAL OF CHEMICAL PHYSICS

Microscopic derivation of discrete hydrodynamics

(2010) Pep Español et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials

(2010) Sergei Izvekov et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentials

(2010) Luca Larini et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. V. Isothermal-isobaric ensemble

(2010) Avisek Das et al.   JOURNAL OF CHEMICAL PHYSICS

Relative entropy as a universal metric for multiscale errors

(2010) Aviel Chaimovich et al.   PHYSICAL REVIEW E

High-order hydrodynamics via lattice Boltzmann methods

(2010) Carlos E. Colosqui   PHYSICAL REVIEW E

Direct construction of mesoscopic models from microscopic simulations

(2010) Huan Lei et al.   PHYSICAL REVIEW E

Hybrid description of complex molecules

(2009) P. Español   EPL

Multiscale simulation of soft matter systems

(2009) Christine Peter et al.   FARADAY DISCUSSIONS

Mori–Zwanzig formalism as a practical computational tool

(2009) Carmen Hijón et al.   FARADAY DISCUSSIONS

The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures

(2009) Vinod Krishna et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. III. A test of pairwise additivity of the coarse-grained potential and of new basis functions for the variational calculation

(2009) Avisek Das et al.   JOURNAL OF CHEMICAL PHYSICS

Derivation of dynamical density functional theory using the projection operator technique

(2009) Pep Español et al.   JOURNAL OF CHEMICAL PHYSICS

Computing generalized Langevin equations and generalized Fokker-Planck equations

(2009) E. Darve et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

(2008) W. G. Noid et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

(2008) W. G. Noid et al.   JOURNAL OF CHEMICAL PHYSICS

Transport coefficients of non-Newtonian fluid and causal dissipative hydrodynamics

(2008) T. Koide et al.   PHYSICAL REVIEW E