Overcoming Instabilities in Verlet-I/r-RESPA with the Mollified Impulse Method-Reference-Cited by-同舟云学术

Overcoming Instabilities in Verlet-I/r-RESPA with the Mollified Impulse Method

Published:2002 Issue: Volume: Page:146-174
ISSN:1439-7358
Container-title:Lecture Notes in Computational Science and Engineering
language:
Short-container-title:

Author:

Izaguirre Jesús A.,Ma Qun,Matthey Thierry,Willcock Jeremiah,Slabach Thomas,Moore Branden,Viamontes George

Publisher

Springer Berlin Heidelberg

Link

http://link.springer.com/content/pdf/10.1007/978-3-642-56080-4_7.pdf

Reference60 articles.

1. E. Barth and T. Schlick. Extrapolation versus impulse in multiple-timestepping schemes. II. Linear analysis and applications to Newtonian and Langevin dynamics. J. Chem. Phys., 109(5):1633–1642, Aug 1998.

2. E. Barth and T. Schlick. Overcoming stability limitations in biomolecular dynamics. I. Combining force splitting via extrapolation with Langevin dynamics in ln. J. Chem. Phys., 109(5):1617–1632, August 1998.

3. J. J. Barton and L. R. Nackman. Scientific and Engineering C++: an introduction with advanced techniques and examples. Addison-Wesley, Reading, Massachusetts, 1994.

4. P. F. Batcho and T. Schlick. Special stability advantages of position Verlet over velocity Verlet in multiple-timestep integration. J. Chem. Phys., 2001.

5. D. M. Beazley and P. S. Lomdahl. Message-passing multi-cell molecular dynamics on the connection machine 5. Parallel Computing, 20:173–195, 1994.

Cited by 5 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. Real Cost of Speed: The Effect of a Time-Saving Multiple-Time-Stepping Algorithm on the Accuracy of Molecular Dynamics Simulations;Journal of Chemical Theory and Computation;2017-05-26

2. An improved smoothed molecular dynamics method by alternating with molecular dynamics;Computer Methods in Applied Mechanics and Engineering;2015-11

3. The Plasmodium falciparum Malaria M1 Alanyl Aminopeptidase (PfA-M1): Insights of Catalytic Mechanism and Function from MD Simulations;PLoS ONE;2011-12-21

4. Extending the Time Scale in Atomically Detailed Simulations;Reviews in Computational Chemistry;2009-01-06

5. ProtoMcol: A Molecular Dynamics Research Framework for Algorithmic Development;Lecture Notes in Computer Science;2003