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cond-mat.mtrl-sci2014
Novel linear algebraic theory and one-hundred-million-atom quantum material simulations on the K computer
Takeo Hoshi, Tomohiro Sogabe, Takafumi Miyatad +7
The present paper gives a review of our recent progress and latest results for novel linear-algebraic algorithms and its application to large-scale quantum material simulations or…
cond-mat.mtrl-sci2012★ 36 cited
An order-N electronic structure theory with generalized eigenvalue equations and its application to a ten-million-atom system
T. Hoshi, S. Yamamoto, T. Fujiwara +2
A linear-algebraic theory called 'multiple Arnoldi method' is presented and realizes large-scale (order-N) electronic structure calculation with generalized eigen-value equations.…