Intercalation behavior of amino acids into Zn–Al-layered double hydroxide by calcination–rehydration reaction S Aisawa, H Kudo, T Hoshi, S Takahashi, H Hirahara, Y Umetsu, E Narita Journal of Solid State Chemistry 177 (11), 3987-3994, 2004 | 131 | 2004 |

Density-functional molecular dynamics with real-space finite difference T Hoshi, M Arai, T Fujiwara Physical Review B 52 (8), R5459, 1995 | 81 | 1995 |

Linear algebraic calculation of the Green’s function for large-scale electronic structure theory R Takayama, T Hoshi, T Sogabe, SL Zhang, T Fujiwara Physical Review B 73 (16), 165108, 2006 | 79 | 2006 |

Shifted Conjugate-Orthogonal–Conjugate-Gradient Method and Its Application to Double Orbital Extended Hubbard Model S Yamamoto, T Sogabe, T Hoshi, SL Zhang, T Fujiwara Journal of the Physical Society of Japan 77 (11), 114713, 2008 | 41 | 2008 |

Nanoscale structures formed in silicon cleavage studied with large-scale electronic structure calculations: Surface reconstruction, steps, and bending T Hoshi, Y Iguchi, T Fujiwara Physical Review B 72 (7), 075323, 2005 | 39 | 2005 |

Krylov subspace method for molecular dynamics simulation based on large-scale electronic structure theory R Takayama, T Hoshi, T Fujiwara Journal of the Physical Society of Japan 73 (6), 1519-1524, 2004 | 39 | 2004 |

Two-stage formation model and helicity of gold nanowires Y Iguchi, T Hoshi, T Fujiwara Physical review letters 99 (12), 125507, 2007 | 36 | 2007 |

Dynamical brittle fractures of nanocrystalline silicon using large-scale electronic structure calculations T Hoshi, T Fujiwara Journal of the Physical Society of Japan 72 (10), 2429-2432, 2003 | 33 | 2003 |

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, T Sogabe, SL Zhang Journal of Physics: Condensed Matter 24 (16), 165502, 2012 | 30 | 2012 |

Theory of composite-band Wannier states and order-N electronic-structure calculations T Hoshi, T Fujiwara Journal of the Physical Society of Japan 69 (12), 3773-3776, 2000 | 28 | 2000 |

One-hundred-nm-scale electronic structure and transport calculations of organic polymers on the K computer H Imachi, S Yokoyama, T Kaji, Y Abe, T Tada, T Hoshi AIP Conference Proceedings 1790 (1), 2016 | 25 | 2016 |

Fully-selfconsistent electronic-structure calculation using nonorthogonal localized orbitals within a finite-difference real-space scheme and ultrasoft pseudopotential T Hoshi, T Fujiwara Journal of the Physical Society of Japan 66 (12), 3710-3713, 1997 | 24 | 1997 |

Hybrid numerical solvers for massively parallel eigenvalue computations and their benchmark with electronic structure calculations H Imachi, T Hoshi Journal of Information Processing 24 (1), 164-172, 2016 | 23 | 2016 |

Million-atom molecular dynamics simulation by order-N electronic structure theory and parallel computation M Geshi, T Hoshi, T Fujiwara Journal of the Physical Society of Japan 72 (11), 2880-2885, 2003 | 23 | 2003 |

Large-scale electronic structure theory for simulating nanostructure processes T Hoshi, T Fujiwara Journal of Physics: Condensed Matter 18 (48), 10787, 2006 | 22 | 2006 |

Large-scale electronic structure theory for simulating nanostructure processes T Hoshi, T Fujiwara Journal of Physics: Condensed Matter 18 (48), 10787, 2006 | 22 | 2006 |

Domain boundary formation in helical multishell gold nanowires T Hoshi, T Fujiwara Journal of Physics: Condensed Matter 21 (27), 272201, 2009 | 21 | 2009 |

On a weighted quasi-residual minimization strategy of the QMR method for solving complex symmetric shifted linear systems T Sogabe, T Hoshi, SL Zhang, T Fujiwara arXiv preprint arXiv:0902.2614, 2009 | 21 | 2009 |

Efficient and accurate linear algebraic methods for large-scale electronic structure calculations with nonorthogonal atomic orbitals H Teng, T Fujiwara, T Hoshi, T Sogabe, SL Zhang, S Yamamoto Physical Review B 83 (16), 165103, 2011 | 18 | 2011 |

Numerical aspect of large-scale electronic state calculation for flexible device material T Hoshi, H Imachi, A Kuwata, K Kakuda, T Fujita, H Matsui Japan Journal of Industrial and Applied Mathematics 36, 685-698, 2019 | 17 | 2019 |