Interactive physically-based structural modeling of hydrocarbon systems

DOI10.1016/J.JCP.2011.12.006zbMATH Open1245.82097DBLPjournals/jcphy/BossonGBR12OpenAlexW1982666186WikidataQ56866699 ScholiaQ56866699MaRDI QIDQ419619FDOQ419619

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

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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)

Cites Work

• Title not available (Why is that?)
• Monte Carlo simulations of carbon-based structures based on an extended Brenner potential

Cited In (4)

• Title not available (Why is that?)
• Error analysis of modified Langevin dynamics
• Self-consistent tight binding model adapted for hydrocarbon systems
• A convergent 2D finite-difference scheme for the Dirac-Poisson system and the simulation of graphene

Uses Software

• ReaxFF

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