Journal article

The δ-thermostat: Selective normal-modes excitation by colored-noise Langevin dynamics

Abstract:: Recently, the authors introduced a comprehensive framework to use a custom-tailored Langevin equation with correlated-noise in the context of molecular-dynamics simulations. Here it is established how such a framework can be used to selectively excite normal modes whose frequency falls within a prescribed, narrow range. Possible application of this technique to the diagonalization of large matrices is also discussed. © 2010 Published by Elsevier Ltd.

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APA Style

Ceriotti, M., & Parrinello, M. (2010). The δ-thermostat: Selective normal-modes excitation by colored-noise Langevin dynamics. Procedia Computer Science, 1(1), 1607–1614.

MLA Style

Ceriotti, M., and M. Parrinello. “The δ-Thermostat: Selective Normal-Modes Excitation by Colored-Noise Langevin Dynamics.” Procedia Computer Science, vol. 1, no. 1, 2010, pp. 1607–14.

Chicago Style

Ceriotti, M, and M Parrinello. 2010. “The δ-Thermostat: Selective Normal-Modes Excitation by Colored-Noise Langevin Dynamics.” Procedia Computer Science 1 (1): 1607–14.
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Publisher copy:: 10.1016/j.procs.2010.04.180

Authors

+ Ceriotti, M More by this author

Role:: Author

+ Parrinello, M More by this author

Role:: Author

Journal:: Procedia Computer Science More from this journal
Volume:: 1
Issue:: 1
Pages:: 1607-1614
Publication date:: 2010-01-01
DOI:: 10.1016/j.procs.2010.04.180
EISSN:: 1877-0509
ISSN:: 1877-0509

Language:: English
Keywords:: Generalized Langevin equation

Colored noise

Molecular dynamics
Pubs id:: pubs:301798
UUID:: uuid:e5ed3f35-52b2-4ef9-a428-50729a1eae46
Local pid:: pubs:301798
Source identifiers:: 301798
Deposit date:: 2012-12-20

Terms of use

Copyright date:: 2010

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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