Interactive physically-based structural modeling of hydrocarbon systems

DOI10.1016/J.JCP.2011.12.006MaRDI QIDQ419619zbMATH OpenOpenAlexDBLPWikidataFDO

Authors Mael Bosson, Sergei Grudinin, Xavier Bouju, Stephane Redon

Publication date 18 May 2012

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.jcp.2011.12.006

zbMATH Keywords

adaptive algorithmsBrenner potentialhydrocarbon builderinteractive modeling

Mathematics Subject Classification ID

Interacting particle systems in time-dependent statistical mechanics (82C22) Statistical mechanics of nanostructures and nanoparticles (82D80)

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Cites work

• scientific article; zbMATH DE number 274399 (Why is no real title available?)
• Monte Carlo simulations of carbon-based structures based on an extended Brenner potential

Cited in

(4)

• Error analysis of modified Langevin dynamics
• A convergent 2D finite-difference scheme for the Dirac-Poisson system and the simulation of graphene
• scientific article; zbMATH DE number 2099855 (Why is no real title available?)
• Self-consistent tight binding model adapted for hydrocarbon systems

Describes a project that uses

Uses Software

• ReaxFF

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