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Predicting atomistic properties of a dislocation is a first step toward an understanding of plastic behavior of materials, in particular BCC metals. The core structure and Peierls stress of a screw dislocation in BCC iron have been determined using the first-principles calculations based on the density functional theory with the large-scale supercell(More)
In order to study quantum many-body problems, we develop two matrix diagonalization codes, which solve only the ground state and all quantum states, respectively. The target model in both codes is the Hubbard model with confinement potential which describes an atomic Fermi gas loaded on an optical lattice and partly High-Tc cuprate superconductor. For the(More)
Predicting atomistic properties of a dislocation is a first step toward an understanding of plastic behavior of materials, in particular BCC metals. The core structure and Peierls stress of a screw dislocation in BCC metals have been studied over the years using the first-principles and empirical methods, however, their conclusions vary due to the(More)
The Earth Simulator has the highest power ever achieved to perform molecular dynamics simulation of large-scale supra-biomolecular systems. Now, we are developing a molecular dynamics simulation system, called PABIOS, which is designed to run a system composed of more than a million particles efficiently on parallel computers. To perform large-scale(More)
The Earth Simulator has the highest power ever achieved to perform molecular dynamics simulation of large-scale supra-molecular systems. We are developing a molecular dynamics simulation system, called SCUBA, which is designed to run a system composed of more than a million particles efficiently on parallel computers. This fisical year, the arrays used in(More)
The Earth Simulator has the highest power ever achieved to perform molecular dynamics simulation of large-scale supra-molecular systems. Now, we are developing a molecular dynamics simulation system, called PABIOS, which is designed to run a system composed of more than a million particles efficiently on parallel computers. To perform large-scale(More)
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