豊田雅之
理学博士（物理学）
研究員
m.toyoda.cmp (at) gmail.com
勤務先
大阪府茨木市美穂ヶ丘８−１ 電話番号：06-6879-8536
研究テーマ密度汎関数法の改良。厳密交換エネルギーの計算に役立つ数値手法の開発。厳密交換エネルギーに最適な相関エネルギーの探索。 職歴
- 2008年～2012年
北陸先端大研究員 - 2012年（平成24年）〜
産研特任研究員
学歴
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2008年（平成20年）
大阪大学大学院理学研究科
物理学専攻 博士後期課程修了 - 2005年（平成17年）
大阪大学大学院理学研究科
物理学専攻 博士前期課程修了 - 2003年（平成15年）
大阪大学理学部物理学科卒業
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Masayuki Toyoda, Ph. D.
Postdoctoral researcher
m.toyoda.cmp (at) gmail.com
Osaka University,
Mailing address: 8-1, Mihogaoka, Ibaragi, Osaka, 567-0047, Japan.
Tel. (Office): +81-6-6879-8536 RESEARCH INTERESTDensity functional theory and related theories for first-principles electronic structure calculations of materials. Development of numerical methods to evaluate the exact exchange energy. Search for an approximation of correlation energy which is suitable to combine with the exact exchange.
WORK EXPERIENCE
- 2008-2012, Researcher at JAIST.
- 2012-, Researcher at ISIR
EDUCATION
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2008 Ph. D. in Physics,
Osaka University. - 2005 M.S. in Physics,
Osaka University. - 2003 B.A. in Physics,
Osaka University.
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PUBLICATIONS
- M. Toyoda and T. Ozaki,
"Exchange functional by a range-separated exchange hole",
Phys. Rev. A 83, 032515 (2011).
DOI: 10.1103/PhysRevA.83.032515
- T. Ozaki and M. Toyoda,
"Accurate finite element method for atomic calculations based on density functional theory and Hartree-Fock method",
Comp. Phys. Commun. 182, 1245-1252 (2011).
DOI:10.1016/j.cpc.2011.02.010
- M.Toyoda and T. Ozaki,
"LIBERI: Library for Numerical Evaluation of Electron-Repulsion Integrals,"
Comp. Phys. Commun. 181, 1455-1463 (2010).
DOI:10.1016/j.cpc.2010.03.019
- M. Toyoda and T. Ozaki,
"Fast spherical Bessel transform via fast Fourier transform and recurrence formula,"
Comp. Phys. Commun. 181, 277-282 (2010).
DOI:10.1016/j.cpc.2009.09.020
- M. Toyoda and T. Ozaki,
"Numerical Evaluation of Electron Repulsion Integrals for Pseudo-atomic Orbitals and Their Derivatives,"
J. Chem. Phys. 139, 124114 (2009).
DOI:10.1063/1.3082269
- M. Toyoda, H. Akai, K. Sato, and H. Katayama-Yoshida,
"Curie temperature of GaMnN and GaMnAs from LDA-SIC electronic structure calculations,"
physica status solidi (c) 3, 4155-4159 (2006).
*Proceedings of the 4th International Conference on Physics and
Applications of Spin-related Phenomena in Semiconductors.
DOI:10.1002/pssc.200672846
- M. Toyoda, H. Akai, K. Sato, and H. Katayama-Yoshida,
"Electronic structures of (Zn,V)O and (Zn,Co)O in the self-interaction- corrected calculation",
Physica B 376-377, 647-650 (2005).
*proceedings of The 23rd International Conference on Defects in Semiconductors
DOI: 10.1016/j.physb.2005.12.163
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