61 citations · 85 across the 6 of their papers we have counts for
6 papers
Efficient and Accurate Linear Algebraic Methods for Large-scale Electronic Structure Calculations with Non-orthogonal Atomic Orbitals
H. Teng, T. Fujiwara, T. Hoshi +3
The need for large-scale electronic structure calculations arises recently in the field of material physics and efficient and accurate algebraic methods for large simultaneous line…
Linear Algebra and Charge Self-consistent Tight-binding Method for Large-scale Electronic Structure Calculations
T. Fujiwara, S. Yamamoto, T. Hoshi +7
We review our recently developed electronic structure calculation methods used for the dynamics of large-scale solids or liquids with an efficient algorithm for large scale simulta…
Development of simulation package 'ELSES' for extra-large-scale electronic-structure calculation
Takeo Hoshi, Takeo Fujiwara
An early-stage version of simulation package ' ELSES' (Extra-Large-Scale Electronic-Structure calculation) is developed for electronic structure and dynamics of large systems, part…
Accuracy control in ultra-large-scale electronic structure calculation
Takeo Hoshi
Numerical aspects are investigated in ultra-large-scale electronic structure calculation. Accuracy control methods in process (molecular-dynamics) calculation are focused. Flexible…
A numerical method for calculating the Green's function arising from electronic structure theory
T. Sogabe, T. Hoshi, S. -L. Zhang +1
We developed a fast numerical methodfor complex symmetric shifted linear systems, which is motivated by the quantum-mechanical (electronic-structure) theory in nanoscale materials.…
Linear Algebraic Calculation of Green's function for Large-Scale Electronic Structure Theory
R. Takayama, T. Hoshi, T. Sogabe +2
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an itera…