Perspective: Advances, challenges, and insight for predictive coarse-grained models

WG Noid - The Journal of Physical Chemistry B, 2023 - ACS Publications
By averaging over atomic details, coarse-grained (CG) models provide profound
computational and conceptual advantages for studying soft materials. In particular, bottom …

Ionic liquid crystals: versatile materials

K Goossens, K Lava, CW Bielawski… - Chemical …, 2016 - ACS Publications
This Review covers the recent developments (2005–2015) in the design, synthesis,
characterization, and application of thermotropic ionic liquid crystals. It was designed to give …

Perspective: Coarse-grained models for biomolecular systems

WG Noid - The Journal of chemical physics, 2013 - pubs.aip.org
By focusing on essential features, while averaging over less important details, coarse-
grained (CG) models provide significant computational and conceptual advantages with …

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

E Brini, EA Algaer, P Ganguly, C Li… - Soft Matter, 2013 - pubs.rsc.org
Multiscale modelling of soft matter is an emerging field that has made rapid progress in the
past decade. Several methods for systematic coarse-graining of molecular liquids and soft …

A review of multiscale computational methods in polymeric materials

A Gooneie, S Schuschnigg, C Holzer - Polymers, 2017 - mdpi.com
Polymeric materials display distinguished characteristics which stem from the interplay of
phenomena at various length and time scales. Further development of polymer systems …

Smart responsive polymers: Fundamentals and design principles

D Mukherji, CM Marques… - Annual Review of …, 2020 - annualreviews.org
In this review, we summarize recent theoretical and computational developments in the field
of smart responsive materials, together with complementary experimental data. A material is …

[HTML][HTML] The impact of resolution upon entropy and information in coarse-grained models

TT Foley, MS Shell, WG Noid - The Journal of chemical physics, 2015 - pubs.aip.org
By eliminating unnecessary degrees of freedom, coarse-grained (CG) models tremendously
facilitate numerical calculations and theoretical analyses of complex phenomena. However …

Effect of the chain length on the structure of ionic liquids: from spatial heterogeneity to ionic liquid crystals

Y Ji, R Shi, Y Wang, G Saielli - The Journal of Physical Chemistry …, 2013 - ACS Publications
Ionic liquids with intermediate nonpolar cationic side-chain lengths are known to have
nanoscale spatial heterogeneities with nonpolar tail domains separated by a continuous …

Computer simulations of soft matter: Linking the scales

R Potestio, C Peter, K Kremer - Entropy, 2014 - mdpi.com
In the last few decades, computer simulations have become a fundamental tool in the field of
soft matter science, allowing researchers to investigate the properties of a large variety of …

Rigorous Progress in Coarse-Graining

WG Noid, RJ Szukalo, KM Kidder… - Annual Review of …, 2024 - annualreviews.org
Low-resolution coarse-grained (CG) models provide remarkable computational and
conceptual advantages for simulating soft materials. In principle, bottom-up CG models can …