Can I read Novel linear algebraic theory and one-hundred-million-atom electronic structure calculation on the K computer on EtoBox?

Novel linear algebraic theory and one-hundred-million-atom electronic structure calculation on the K computer by Hoshi, Takeo; Yamazaki, Keita; Akiyama, Yohei is a scholarly article available to read on EtoBox.

What is Novel linear algebraic theory and one-hundred-million-atom electronic structure calculation on the K computer about?

A novel linear-algebraic algorithm, multiple Arnoldi method, was developed in an interdisciplinary study between physics and applied mathematics and realized one-hundred-million-atom (100-nm-scale) electronic state calculations on the K computer. The algorithms are Krylov-subspace solvers for generalized shifted linear equations and were implemented in our order-N calculation code ELSES (http://www.elses.jp/). Moreover, a method for calculating eigen states is presented as a theoretical extension.

Author

Hoshi, Takeo; Yamazaki, Keita; Akiyama, Yohei

Published

2013

Language

EN