A comparative study of coarse-graining methods for polymeric fluids: Mori-Zwanzig vs. iterative Boltzmann inversion vs. stochastic parametric optimization

Enhancing sparsity of Hermite polynomial expansions by iterative rotations

(2016) Xiu Yang et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Mesoscale modeling of phase transition dynamics of thermoresponsive polymers

(2015) Zhen Li et al.   CHEMICAL COMMUNICATIONS

Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems

(2015) Zhen Li et al.   JOURNAL OF CHEMICAL PHYSICS

Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism

(2015) Zhen Li et al.   JOURNAL OF CHEMICAL PHYSICS

Constructing Surrogate Models of Complex Systems with Enhanced Sparsity: Quantifying the Influence of Conformational Uncertainty in Biomolecular Solvation

(2015) H. Lei et al.   MULTISCALE MODELING & SIMULATION

Simultaneous Iterative Boltzmann Inversion for Coarse-Graining of Polyurea

(2014) Vipin Agrawal et al.   MACROMOLECULES

Probing red blood cell mechanics, rheology and dynamics with a two-component multi-scale model

(2014) X. Li et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Construction of dissipative particle dynamics models for complex fluids via the Mori–Zwanzig formulation

(2014) Zhen Li et al.   Soft Matter

Coarse-Graining Methods for Computational Biology

(2013) Marissa G. Saunders et al.   Annual Review of Biophysics

Effective potentials for representing polymers in melts as chains of interacting soft particles

(2013) A. J. Clark et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Coarse-grained models for biomolecular systems

(2013) W. G. Noid   JOURNAL OF CHEMICAL PHYSICS

Reweighted minimization method for stochastic elliptic differential equations

(2013) Xiu Yang et al.   JOURNAL OF COMPUTATIONAL PHYSICS

No-go theorem in many-body dissipative particle dynamics

(2013) Patrick B. Warren   PHYSICAL REVIEW E

Mesoscale modeling: solving complex flows in biology and biotechnology

(2013) Zachary Grant Mills et al.   TRENDS IN BIOTECHNOLOGY

The power of coarse graining in biomolecular simulations

(2013) Helgi I. Ingólfsson et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Uncertainty Quantification in MD Simulations. Part II: Bayesian Inference of Force-Field Parameters

(2012) F. Rizzi et al.   MULTISCALE MODELING & SIMULATION

Obtaining fully dynamic coarse-grained models from MD

(2011) Pep Español et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct construction of mesoscopic models from microscopic simulations

(2010) Huan Lei 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

Mori–Zwanzig formalism as a practical computational tool

(2009) Carmen Hijón et al.   FARADAY DISCUSSIONS

Versatile Object-Oriented Toolkit for Coarse-Graining Applications

(2009) Victor Rühle et al.   Journal of Chemical Theory and Computation

Rheology, Microstructure and Migration in Brownian Colloidal Suspensions

(2009) Wenxiao Pan et al.   LANGMUIR

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

The relative entropy is fundamental to multiscale and inverse thermodynamic problems

(2008) M. Scott Shell   JOURNAL OF CHEMICAL PHYSICS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation