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Time-Reversible Velocity Predictors for Verlet Integration with Velocity-Dependent Right-Hand Side
- 1.0366968 - ÚCHP 2012 RIV US eng J - Journal Article
Kolafa, J. - Lísal, Martin
Time-Reversible Velocity Predictors for Verlet Integration with Velocity-Dependent Right-Hand Side.
Journal of Chemical Theory and Computation. Roč. 7, č. 11 (2011), s. 3596-3607. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GA104/08/0600
Grant - others:IGA J.E.PU(CZ) 53222 15 0006 01
Institutional research plan: CEZ:AV0Z40720504
Keywords : molecular dynamics * nose-hoover thermostat * verlet integrator
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.215, year: 2011
Time-reversible velocity predictors (TRVPs) with increasing orders of the time-reversibility error are developed to be used with the Verlet integrator for equations of motion with the right-hand side depending on velocities.
Permanent Link: http://hdl.handle.net/11104/0201776
Number of the records: 1