Open AccessThe RED scheme: Rate-constant estimation from pre-steady state weighted ensemble simulations
Author(s) -
Alex J. DeGrave,
Anthony T. Bogetti,
Lillian T. Chong
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0041278
Subject(s) - constant (computer programming) , scheme (mathematics) , estimation , steady state (chemistry) , statistical physics , mathematics , state (computer science) , computer science , physics , algorithm , mathematical analysis , economics , chemistry , programming language , management
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom