Variationally Optimized Free-Energy Flooding for Rate Calculation

Physical Review Letters

Volumn 115, Issue 7, 2015, Pages

  McCarty, James ^a   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

[No Author keywords available]

Indexed keywords

FLOODS; MOLECULAR DYNAMICS;

COLLECTIVE VARIABLES; FREE ENERGY SURFACE; KINETIC PROPERTIES; MOLECULAR DYNAMICS SIMULATIONS; ORDERS OF MAGNITUDE; TRANSITION STATE; VARIATIONAL APPROACHES; VARIATIONAL PRINCIPLES;

FREE ENERGY;

EID: 84939496072     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.115.070601     Document Type: Article

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