| 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 | 138 | 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—Condensed Matter and Materials Physics 73 (16), 165108, 2006 | 80 | 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—Condensed Matter and Materials Physics 72 (7), 075323, 2005 | 41 | 2005 |
| Two-stage formation model and helicity of gold nanowires Y Iguchi, T Hoshi, T Fujiwara Physical review letters 99 (12), 125507, 2007 | 38 | 2007 |
| 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 | 38 | 2004 |
| 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 | 31 | 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 |
| 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 |
| Domain boundary formation in helical multishell gold nanowires T Hoshi, T Fujiwara Journal of Physics: Condensed Matter 21 (27), 272201, 2009 | 22 | 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 | 22 | 2009 |
| Large-scale electronic structure theory for simulating nanostructure processes T Hoshi, T Fujiwara Journal of Physics: Condensed Matter 18 (48), 10787, 2006 | 22 | 2006 |
| 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—Condensed Matter and Materials Physics 83 (16), 165103, 2011 | 20 | 2011 |
| 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 | 18 | 2016 |
| A numerical method for calculating the Green's function arising from electronic structure theory T Sogabe, T Hoshi, SL Zhang, T Fujiwara Frontiers of Computational Science: Proceedings of the International …, 2007 | 17 | 2007 |
| Structure of exact Wannier states of tetrahedral-bonded crystals T Hoshi, T Fujiwara Surface science 493 (1-3), 659-664, 2001 | 17 | 2001 |
