Simulation Algorithm That Conserves Energy and Momentum for Molecular Dynamics of Systems Driven by Switching Potentials
Whenever there exists a crossover from one potential to another, computational problems are introduced in Molecular Dynamics (MD) simulation. These problem are overcome here by an algorithm, described in detail. The algorithm is applied to a 2-body particle potential for a hysteresis loop reaction m...
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| Format: | Article |
| Language: | English |
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Hindawi Publishing Corporation
2009
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| Online Access: | http://eprints.um.edu.my/17460/1/JesudasonCG_%282009%29.pdf |