Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint

Annual Review of Physical Chemistry

Volumn 67, Issue , 2016, Pages 159-184

  Valsson, Omar ^a   Tiwary, Pratyush ^b   Parrinello, Michele ^a  

^a UNIVERSITY OF LUGANO   (Switzerland)

^b Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

Atomistic simulations; Collective variables; Enhanced sampling; Free energy calculations; Kinetic bottlenecks; Kinetic rate calculations

Indexed keywords

FREE ENERGY; STATISTICAL MECHANICS;

ATOMISTIC SIMULATIONS; COLLECTIVE VARIABLES; ENHANCED SAMPLINGS; FREE-ENERGY CALCULATIONS; KINETIC BOTTLENECK; KINETIC RATE CALCULATION; KINETICS RATES; META-STABLE STATE; METADYNAMICS; TIME-SCALES;

KINETICS;

EID: 84973369671     PISSN: 0066426X     EISSN: 15451593     Source Type: Book Series    
DOI: 10.1146/annurev-physchem-040215-112229     Document Type: Article

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