Grain Shape Dynamics for Molecular Simulations at the Mesoscale

Loss of Molecular Roughness upon Coarse-Graining Predicts the Artificially Accelerated Mobility of Coarse-Grained Molecular Simulation Models

(2020) Melissa K. Meinel et al.   Journal of Chemical Theory and Computation

Predicting the Mobility Increase of Coarse-Grained Polymer Models from Excess Entropy Differences

(2020) Gustavo G. Rondina et al.   Journal of Chemical Theory and Computation

Evidence of information limitations in coarse-grained models

(2019) Aditi Khot et al.   JOURNAL OF CHEMICAL PHYSICS

SPICA Force Field for Lipid Membranes: Domain Formation Induced by Cholesterol

(2018) Sangjae Seo et al.   Journal of Chemical Theory and Computation

Coarse-grained simulations of cis- and trans-polybutadiene: A bottom-up approach

(2017) Claire A. Lemarchand et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-Grained Models of Aqueous and Pure Liquid Alkanes

(2017) Gaurav Gyawali et al.   Journal of Chemical Theory and Computation

Particle-based simulations of red blood cells—A review

(2016) Ting Ye et al.   JOURNAL OF BIOMECHANICS

Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids

(2015) Nicholas J. H. Dunn et al.   JOURNAL OF CHEMICAL PHYSICS

Bayesian parametrization of coarse-grain dissipative dynamics models

(2015) Alain Dequidt et al.   JOURNAL OF CHEMICAL PHYSICS

An Anisotropic Effective Model for the Simulation of Semiflexible Ring Polymers

(2015) Peter Poier et al.   MACROMOLECULES

Challenges in Multiscale Modeling of Polymer Dynamics

(2013) Ying Li et al.   Polymers

Systematic coarse-graining methods for soft matter simulations – a review

(2012) Emiliano Brini et al.   Soft Matter

Obtaining fully dynamic coarse-grained models from MD

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

Accurate Coarse-Grained Modeling of Red Blood Cells

(2008) Igor V. Pivkin et al.   PHYSICAL REVIEW LETTERS