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Biased sampling of nonequilibrium trajectories : Can fast switching simulations outperform conventional free energy calculation methods?

Title data

Oberhofer, Harald ; Dellago, Christoph ; Geissler, Phillip L.:
Biased sampling of nonequilibrium trajectories : Can fast switching simulations outperform conventional free energy calculation methods?
In: The Journal of Physical Chemistry B. Vol. 109 (2005) Issue 14 . - pp. 6902-6915.
ISSN 1520-5207
DOI: https://doi.org/10.1021/jp044556a

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics VII - Computational Materials Design (BayBatt) > Chair Theoretical Physics VII - Computational Materials Design (BayBatt) - Univ.-Prof. Dr. Harald Oberhofer
Result of work at the UBT: No
DDC Subjects: 500 Science > 530 Physics
500 Science > 540 Chemistry
Date Deposited: 25 Jan 2022 08:17
Last Modified: 17 Feb 2022 12:38
URI: https://eref.uni-bayreuth.de/id/eprint/68447