3 papers
cond-mat.stat-mech2008
Multicanonical Algorithm, Simulated Tempering, Replica-Exchange Method, and All That
Ayori Mitsutake, Yuko Okamoto
We discuss multi-dimensional generalizations of multicanonical algorithm, simulated tempering, and replica-exchange method. We generalize the original potential energy function $E_…
cond-mat.stat-mech2007
Generalized-Ensemble Algorithms for Protein Folding Simulations
Yuji Sugita, Ayori Mitsutake, Yuko Okamoto
Conventional simulations of complex systems in the canonical ensemble suffer from the quasi-ergodicity problem. A simulation in generalized ensemble overcomes this difficulty by pe…
cond-mat.stat-mech2000
Generalized-Ensemble Algorithms for Molecular Simulations of Biopolymers
Ayori Mitsutake, Yuji Sugita, Yuko Okamoto
In complex systems with many degrees of freedom such as peptides and proteins there exist a huge number of local-minimum-energy states. Conventional simulations in the canonical en…