Publications (26)
Theory of composite-band Wannier states and order-N electronic-structure calculations
Takeo Hoshi, Takeo Fujiwara
Development of simulation package 'ELSES' for extra-large-scale electronic-structure calculation
Takeo Hoshi, Takeo Fujiwara
Krylov Subspace Method for Molecular Dynamics Simulation based on Large-Scale Electronic Structure Theory
Ryu Takayama, Takeo Hoshi, Takeo Fujiwara
Hybrid Numerical Solvers for Massively Parallel Eigenvalue Computation and Their Benchmark with Electronic Structure Calculations
Hiroto Imachi, Takeo Hoshi
Shifted COCG method and its application to double orbital extended Hubbard model
Susumu Yamamoto, Tomohiro Sogabe, Takeo Hoshi +2
Large-scale electronic structure theory for simulating nanostructure process
Takeo Hoshi, Takeo Fujiwara
One-hundred-nm-scale electronic structure and transport calculations of organic polymers on the K computer
Hiroto Imachi, Seiya Yokoyama, Takami Kaji +3
Million-atom molecular dynamics simulation by order-N electronic structure theory and parallel computation
Masaaki Geshi, Takeo Hoshi, Takeo Fujiwara
Efficient numerical solver for first-principles transport calculation based on real-space finite-difference method
Shigeru Iwase, Takeo Hoshi, Tomoya Ono
Novel linear algebraic theory and one-hundred-million-atom electronic structure calculation on the K computer
Takeo Hoshi, Keita Yamazaki, Yohei Akiyama
Accuracy control in ultra-large-scale electronic structure calculation
Takeo Hoshi
Domain boundary formation in helical multishell gold nanowire
Takeo Hoshi, Takeo Fujiwara
Ultra-large-scale electronic structure theory and numerical algorithm
Takeo Hoshi
Dynamical brittle fractures of nanocrystalline silicon using large-scale electronic structure calculations
Takeo Hoshi, Takeo Fujiwara
Theory of large-scale matrix computation and applications to electronic structure calculation
Takeo Fujiwara, Takeo Hoshi, Susumu Yamamoto
Large-scale electronic structure calculation and its application
Takeo Hoshi
Ten-million-atom electronic structure calculations on the K computer with a massively parallel order-N theory
Takeo Hoshi, Yohei Akiyama, Tatsunori Tanaka +1
Ill-Contact Effects of d-Orbital Channels in Nanometer-Scale Conductor
Hiroshi Shinaoka, Takeo Hoshi, Takeo Fujiwara
Development of simulation package for atomic processes of ultra-large-scale system based on electronic structure theory
Hitoshi Nitta, Naoki Watanabe, Takeo Hoshi +1
Two-Stage Formation Model and Helicity of Gold Nanowires
Yusuke Iguchi, Takeo Hoshi, Takeo Fujiwara
Extremely scalable algorithm for 10$^8$-atom quantum material simulation on the full system of the K computer
Takeo Hoshi, Hiroto Imachi, Kiyoshi Kumahata +4
Draw out Carbon Nanotube from Liquid Carbon
Shuang Zhang, Takeo Hoshi, Takeo Fujiwara
A hierarchical research by large-scale and ab initio electronic structure theories -- Si and Ge cleavage and stepped (111)-2x1 surfaces --
Takeo Hoshi, Masakazu Tanikawa, Akira Ishii
Large scale simulation of quantum-mechanical molecular dynamics for nano-polycrystalline diamond
Takeo Hoshi, Toshiaki Iitaka, Maria Fyta
Novel linear algebraic theory and one-hundred-million-atom quantum material simulations on the K computer
Takeo Hoshi, Tomohiro Sogabe, Takafumi Miyatad +7
Nanoscale structures formed in silicon cleavage studied with large-scale electronic structure alculations; surface reconstruction, step and bending
Takeo Hoshi, Yusuke Iguchi, Takeo Fujiwara