Molecular Dynamics of Covalent Crystals

DOI10.1007/978-3-642-59686-5_9MaRDI QIDQ4953469zbMATH OpenOpenAlexFDO

Authors Jutta Hahn, Hans-Rainer Trebin

Publication date 9 May 2000

Published in High Performance Computing in Science and Engineering ’99 (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-642-59686-5_9

zbMATH Keywords

covalent crystalsIMD packagemolecular dynamics software

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55) Statistical mechanics of crystals (82D25) Statistical mechanics of random media, disordered materials (including liquid crystals and spin glasses) (82D30)

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Cited in

(5)

• scientific article; zbMATH DE number 1866959 (Why is no real title available?)
• Three-dimensional interactive molecular dynamics program for the study of defect dynamics in crystals
• Force-field derivation and atomistic simulation of HMX/graphite interface and polycrystal systems
• The Sigma MD programm and a generic interface applicable to multi-functional programs with complex, hierarchical command structure
• Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <scp>L</scp>-alanine, naphthalene and xylitol

Describes a project that uses

Uses Software

• IMD

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