Symplectic algorithm for constant-pressure molecular dynamics using a Nosé–Poincaré thermostat
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.480502
Reference19 articles.
1. A comparison of constant energy, constant temperature and constant pressure ensembles in molecular dynamics simulations of atomic liquids
2. Non-Newtonian molecular dynamics
3. Molecular dynamics simulations at constant pressure and/or temperature
4. A molecular dynamics method for simulations in the canonical ensemble
5. A unified formulation of the constant temperature molecular dynamics methods
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