Non-Hamiltonian molecular dynamics: Generalizing Hamiltonian phase space principles to non-Hamiltonian systems

By Mark E. Tuckerman, Yi Liu, G. Ciccotti, G. Martyna. 2001

296 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Statistical and Nonlinear Physics

View Paper: https://www.semanticscholar.org/paper/cda1fbc7952535898a936c573d933f3f66e1f6a1

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. James C. Gumbart
2. Emad Tajkhorshid
3. Christophe Chipot
4. Elizabeth Villa
5. Laxmikant V. Kalé
6. Robert D. Skeel
7. James C. Phillips
8. Rosemary Braun

In Statistical and Nonlinear Physics

1. James C. Gumbart
2. Klaus Schulten
3. Christophe Chipot
4. Felix Ritort

Citations in the corpus

• A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble (2006, methodology): “A classical statistical mechanical theory for non-Hamiltonian systems was developed recently [42, 38 , 29, 26, 27, 34, 33, 28].”
• Scalable molecular dynamics with NAMD (2005, methodology): “The theory behind deterministic coupling methods is similar, with the Liouville equation playing the pivotal role [42].”