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)

Recommendations

• scientific article; zbMATH DE number 417605
• Interactive physically-based shape editing
• Dynamic maintenance and visualization of molecular surfaces.
• scientific article; zbMATH DE number 953090
• scientific article; zbMATH DE number 220696

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)

• scientific article; zbMATH DE number 2099855 (Why is no real title available?)
• 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

Describes a project that uses

Uses Software

• ReaxFF

This page was built for publication: Interactive physically-based structural modeling of hydrocarbon systems

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q419619)