Classical molecular dynamics simulation with the velocity Verlet algorithm at strong external magnetic fields

DOI10.1006/JCPH.1999.6237MaRDI QIDQ1306106zbMATH OpenOpenAlexFDO

Authors V. Pereyra

Publication date 22 September 1999

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

Full work available at URL https://doi.org/10.1006/jcph.1999.6237

zbMATH Keywords

magnetic fieldsmagnetized systems of charged particlesmolecular dynamics computer simulationssecond-order velocity verlet propagation scheme

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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• Long-time behaviour of numerically computed orbits: Small and intermediate timestep analysis of one-dimensional systems

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(9)

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• A critical review on molecular dynamics applied to structure fracture and failure analysis
• An almost symmetric Strang splitting scheme for the construction of high order composition methods
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• \textsc{Bill2d} -- a software package for classical two-dimensional Hamiltonian systems
• Explicit time-reversible orbit integration in particle in cell codes with static homogeneous magnetic field
• Transport phenomena in kaolinite clay: molecular simulation, homogenization analysis and similitude law

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