@article{oai:nagoya.repo.nii.ac.jp:00026917,
 author = {Sugita, Yuji and Kitao, Akio and Okamoto, Yuko},
 issue = {15},
 journal = {The Journal of Chemical Physics},
 month = {Oct},
 note = {We have developed a new simulation algorithm for free-energy calculations. The method is a multidimensional extension of the replica-exchange method. While pairs of replicas with different temperatures are exchanged during the simulation in the original replica-exchange method, pairs of replicas with different temperatures and/or different parameters of the potential energy are exchanged in the new algorithm. This greatly enhances the sampling of the conformational space and allows accurate calculations of free energy in a wide temperature range from a single simulation run, using the weighted histogram analysis method.},
 pages = {6042--6051},
 title = {Multidimensional replica-exchange method for free-energy calculations},
 volume = {113},
 year = {2000}
}