Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Sugita, Y. Kitao, A. Okamoto, Y., Multidimensional replica-exchange method for free-energy calculations, J. Chem. Phys. 2000,113, 6042-6051... [Pg.317]

We now present our multidimensional extension of REM, which we refer to as multidimensional replica-exchange method (MREM) [80]. The crucial observation that led to the new algorithm is As long as we have M noninteracting... [Pg.73]

See other pages where Multidimensional replica-exchange is mentioned: [Pg.490] [Pg.63] [Pg.73] [Pg.74] [Pg.362] [Pg.65]