Finding transition pathways using the string method with swarms of trajectories

Journal of Physical Chemistry B

Volumn 112, Issue 11, 2008, Pages 3432-3440

  Pan, Albert C ^a   Sezer, Deniz ^c   Roux, Benoît ^a,b  

^a UNIVERSITY OF CHICAGO   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

^c Cornell University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

REFINING; TRAJECTORIES;

COLLECTIVE VARIABLES; COMPLEX SYSTEMS; COMPUTER NODES; INTERPROCESSOR COMMUNICATIONS; MULTI-DIMENSIONAL SPACES; ON THE FLY (OTF); TRANSITION PATHS; TRANSITION PATHWAYS;

MINE FLOODING;

ALANINE; DIPEPTIDE; NITROGEN;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ENERGY TRANSFER; THERMODYNAMICS;

ALANINE; ALGORITHMS; COMPUTER SIMULATION; DIPEPTIDES; ENERGY TRANSFER; MOLECULAR CONFORMATION; NITROGEN; THERMODYNAMICS;

EID: 45949108535     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0777059     Document Type: Article

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