High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations-Reference-Cited by-同舟云学术

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High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations

Published:2004-12 Issue:21 Volume:121 Page:10346-10355
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Cancès Eric,Castella François,Chartier Philippe,Faou Erwan,Le Bris Claude,Legoll Frédéric,Turinici Gabriel

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1794611

Reference8 articles.

1. Understanding Modern Molecular Dynamics: Techniques and Applications

2. The Nosé–Poincaré Method for Constant Temperature Molecular Dynamics

3. Molecular dynamics of liquid alkanes

4. Molecular dynamics of liquid alkanes

5. Temperature-accelerated dynamics for simulation of infrequent events

Cited by 10 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Coupling the finite element method and molecular dynamics in the framework of the heterogeneous multiscale method for quasi-static isothermal problems;Journal of the Mechanics and Physics of Solids;2015-01

2. Calculation of Ensemble Averages;Encyclopedia of Applied and Computational Mathematics;2015

3. A simple molecular mechanics integrator in mixed rigid body and dihedral angle space;The Journal of Chemical Physics;2014-07-21

4. On the estimation and correction of discretization error in molecular dynamics averages;Applied Numerical Mathematics;2012-12

5. Improving on computation of homogenized coefficients in the periodic and quasi-periodic settings;Networks & Heterogeneous Media;2010

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