Energy drift in molecular dynamics simulations

BIT Numerical Mathematics

Volumn 47, Issue 3, 2007, Pages 507-523

  Cottrell, D ^a   Tupper, P F ^a  

^a MCGILL UNIVERSITY   (Canada)

Author keywords

Backward error analysis; Hamiltonian systems; Modified Hamiltonian; Molecular dynamics; Shadow Hamiltonian; Symplectic numerical methods

Indexed keywords

EID: 34548673351     PISSN: 00063835     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10543-007-0134-z     Document Type: Article

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