Literature DB >> 29748868

How to simulate patchy particles.

Lorenzo Rovigatti1,2, John Russo3, Flavio Romano4.   

Abstract

Patchy particles is the name given to a large class of systems of mesoscopic particles characterized by a repulsive core and a discrete number of short-range and highly directional interaction sites. Numerical simulations have contributed significantly to our understanding of the behaviour of patchy particles, but, although simple in principle, advanced simulation techniques are often required to sample the low temperatures and long time-scales associated with their self-assembly behaviour. In this work we review the most popular simulation techniques that have been used to study patchy particles, with a special focus on Monte Carlo methods. We cover many of the tools required to simulate patchy systems, from interaction potentials to biased moves, cluster moves, and free-energy methods. The review is complemented by an educationally oriented Monte Carlo computer code that implements all the techniques described in the text to simulate a well-known tetrahedral patchy particle model.

Keywords:  Topical issue: Advances in Computational Methods for Soft Matter Systems

Year:  2018        PMID: 29748868     DOI: 10.1140/epje/i2018-11667-x

Source DB:  PubMed          Journal:  Eur Phys J E Soft Matter        ISSN: 1292-8941            Impact factor:   1.890


  78 in total

1.  Grand canonical Monte Carlo simulation of a model colloid-polymer mixture: coexistence line, critical behavior, and interfacial tension.

Authors:  R L C Vink; J Horbach
Journal:  J Chem Phys       Date:  2004-08-15       Impact factor: 3.488

2.  Dense regular packings of irregular nonconvex particles.

Authors:  Joost de Graaf; René van Roij; Marjolein Dijkstra
Journal:  Phys Rev Lett       Date:  2011-10-03       Impact factor: 9.161

3.  Anisotropy of building blocks and their assembly into complex structures.

Authors:  Sharon C Glotzer; Michael J Solomon
Journal:  Nat Mater       Date:  2007-08       Impact factor: 43.841

4.  Well-tempered metadynamics: a smoothly converging and tunable free-energy method.

Authors:  Alessandro Barducci; Giovanni Bussi; Michele Parrinello
Journal:  Phys Rev Lett       Date:  2008-01-18       Impact factor: 9.161

5.  Computing the free energy of molecular solids by the Einstein molecule approach: ices XIII and XIV, hard-dumbbells and a patchy model of proteins.

Authors:  E G Noya; M M Conde; C Vega
Journal:  J Chem Phys       Date:  2008-09-14       Impact factor: 3.488

6.  Diamond family of nanoparticle superlattices.

Authors:  Wenyan Liu; Miho Tagawa; Huolin L Xin; Tong Wang; Hamed Emamy; Huilin Li; Kevin G Yager; Francis W Starr; Alexei V Tkachenko; Oleg Gang
Journal:  Science       Date:  2016-02-05       Impact factor: 47.728

7.  A systematically coarse-grained model for DNA and its predictions for persistence length, stacking, twist, and chirality.

Authors:  Alex Morriss-Andrews; Joerg Rottler; Steven S Plotkin
Journal:  J Chem Phys       Date:  2010-01-21       Impact factor: 3.488

8.  Predicting crystals of Janus colloids.

Authors:  Teun Vissers; Zdenek Preisler; Frank Smallenburg; Marjolein Dijkstra; Francesco Sciortino
Journal:  J Chem Phys       Date:  2013-04-28       Impact factor: 3.488

9.  No evidence of gas-liquid coexistence in dipolar hard spheres.

Authors:  Lorenzo Rovigatti; John Russo; Francesco Sciortino
Journal:  Phys Rev Lett       Date:  2011-11-28       Impact factor: 9.161

10.  Transferable coarse-grained potential for de novo protein folding and design.

Authors:  Ivan Coluzza
Journal:  PLoS One       Date:  2014-12-01       Impact factor: 3.240

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  5 in total

1.  Topical Issue on Advances in Computational Methods for Soft Matter Systems.

Authors:  Lorenzo Rovigatti; Flavio Romano; John Russo
Journal:  Eur Phys J E Soft Matter       Date:  2018-08-29       Impact factor: 1.890

2.  Topical Issue on Dielectric Spectroscopy Applied to Soft Matter.

Authors:  Simone Napolitano
Journal:  Eur Phys J E Soft Matter       Date:  2020-01-23       Impact factor: 1.890

3.  Breakdown of the law of rectilinear diameter and related surprises in the liquid-vapor coexistence in systems of patchy particles.

Authors:  Jorge R Espinosa; Adiran Garaizar; Carlos Vega; Daan Frenkel; Rosana Collepardo-Guevara
Journal:  J Chem Phys       Date:  2019-06-14       Impact factor: 3.488

4.  Thermodynamics of structure-forming systems.

Authors:  Jan Korbel; Simon David Lindner; Rudolf Hanel; Stefan Thurner
Journal:  Nat Commun       Date:  2021-02-18       Impact factor: 14.919

5.  Correspondence between neuroevolution and gradient descent.

Authors:  Stephen Whitelam; Viktor Selin; Sang-Won Park; Isaac Tamblyn
Journal:  Nat Commun       Date:  2021-11-02       Impact factor: 14.919

  5 in total

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