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Direct simulation of quantum dynamic...

Menzeleev, Artur R.

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Direct simulation of quantum dynamics in complex systems.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Direct simulation of quantum dynamics in complex systems./
Author:	Menzeleev, Artur R.
Description:	194 p.
Notes:	Source: Dissertation Abstracts International, Volume: 75-09(E), Section: B.
Contained By:	Dissertation Abstracts International75-09B(E).
Subject:	Chemistry, Physical. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3623065
ISBN:	9781303953002

Direct simulation of quantum dynamics in complex systems.
Menzeleev, Artur R.

Direct simulation of quantum dynamics in complex systems. - 194 p.

Source: Dissertation Abstracts International, Volume: 75-09(E), Section: B.

Thesis (Ph.D.)--California Institute of Technology, 2014.

Accurate simulation of quantum dynamics in complex systems poses a fundamental theoretical challenge with immediate application to problems in biological catalysis, charge transfer, and solar energy conversion. The varied length- and timescales that characterize these kinds of processes necessitate development of novel simulation methodology that can both accurately evolve the coupled quantum and classical degrees of freedom and also be easily applicable to large, complex systems. In the following dissertation, the problems of quantum dynamics in complex systems are explored through direct simulation using path-integral methods as well as application of state-of-the-art analytical rate theories.

ISBN: 9781303953002Subjects--Topical Terms:

560527
Chemistry, Physical.

Direct simulation of quantum dynamics in complex systems.
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020 $a 9781303953002
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035 $a AAI3623065
040 $a MiAaPQ $c MiAaPQ
100 1 $a Menzeleev, Artur R. $3 3169007
245 1 0 $a Direct simulation of quantum dynamics in complex systems.
300 $a 194 p.
500 $a Source: Dissertation Abstracts International, Volume: 75-09(E), Section: B.
500 $a Adviser: Thomas F. Miller.
502 $a Thesis (Ph.D.)--California Institute of Technology, 2014.
520 $a Accurate simulation of quantum dynamics in complex systems poses a fundamental theoretical challenge with immediate application to problems in biological catalysis, charge transfer, and solar energy conversion. The varied length- and timescales that characterize these kinds of processes necessitate development of novel simulation methodology that can both accurately evolve the coupled quantum and classical degrees of freedom and also be easily applicable to large, complex systems. In the following dissertation, the problems of quantum dynamics in complex systems are explored through direct simulation using path-integral methods as well as application of state-of-the-art analytical rate theories.
590 $a School code: 0037.
650 4 $a Chemistry, Physical. $3 560527
650 4 $a Chemistry, Molecular. $3 1676084
690 $a 0494
690 $a 0431
710 2 $a California Institute of Technology. $b Chemistry. $3 2096080
773 0 $t Dissertation Abstracts International $g 75-09B(E).
790 $a 0037
791 $a Ph.D.
792 $a 2014
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3623065