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- The Graduate University for Advanced Studies, SOKENDAIJP142 papers
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10 papers · 1 filter
Optical study of the metal-nonmetal transition in NiS
H. Okamura, J. Naitoh, N. Nanba +3
Optical reflectivity study has been made on the hexagonal (NiAs-type) Ni_{1-d}S in order to probe its electronic properties, in particular those associated with the metal-nonmetal…
Stochastic dynamics simulations in a new generalized ensemble
Ulrich H. E. Hansmann, Frank Eisenmenger, Yuko Okamoto
We develop a formulation for molecular dynamics, Langevin, and hybrid Monte Carlo algorithms in the recently proposed generalized ensemble that is based on a physically motivated r…
Finite-size scaling of helix-coil transitions in poly-alanine studied by multicanonical simulations
U. H. E. Hansmann, Y. Okamoto
We report results from multicanonical simulations of poly-alanine. Homopolymers of up to 30 amino acids were considered and various thermodynamic quantities as a function of temper…
Effects of dimerization and interchain one-particle hopping in a weakly coupled dimerized chain system at quarter filling
Jun-ichiro Kishine, Kenji Yonemitsu
Effects of the intrachain dimerization and the interchain one-particle hopping, , in a quasi-one-dimensional dimerized chain system at quarter filling have been studied, bas…
Tertiary structure prediction of C-peptide of ribonuclease A by multicanonical algorithm
Ulrich H. E. Hansmann, Yuko Okamoto
We have performed multicanonical Monte Carlo simulations of C-peptide of ribonuclease A. It is known by CD and NMR experiments that this peptide has high alpha-helix content in aqu…
Characteristic Temperatures of Folding of a Small Peptide
Ulrich H. E. Hansmann, Masato Masuya, Yuko Okamoto
We perform a generalized-ensemble simulation of a small peptide taking the interactions among all atoms into account. From this simulation we obtain thermodynamic quantities over a…