An investigation of soft-core potentials for the simulation of mesogenic molecules and molecules composed of rigid and flexible segments

DOI10.1016/J.CPC.2008.01.047zbMATH Open1196.82012OpenAlexW2008510087MaRDI QIDQ710248FDOQ710248

Authors: Zak E. Hughes, Lorna M. Stimson, Henk Slim, J. S. Lintuvuori, Jaroslav Ilnytskyi, Mark Wilson 

Publication date: 18 October 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2008.01.047

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zbMATH Keywords

Monte Carlophase transitionphase diagramliquid crystalsmolecular dynamicsspherocylindersoft-core potential

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to statistical mechanics (82-04) Statistical mechanics of random media, disordered materials (including liquid crystals and spin glasses) (82D30)

Cites Work

• Liquid–crystalline ordering in rod—coil diblock copolymers studied by mesoscale simulations

Cited In (2)

• Analytical first derivatives of the RE-squared interaction potential
• Dissipative particle dynamics of non-spherical particles using a Gaussian density model

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