Past News (Until May 2014 at JAIST)

• The study entitled "Systematic study of electronic and magnetic properties for Cu_12-xTM_xSb₄S₁₃ (TM=Mn, Fe, Co, Ni, and Zn) tetrahedrite" was published in J. Appl. Phys. (Published online April 9). The research was conducted in collaboration with Dr. Suekuni of Hiroshima University and Prof. Koyano's group of JAIST. J. Appl. Phys. 115, 143702 (5 pages) (2014)
• The study entitled "Microscopic origin of the π states in epitaxial silicene" from collaborative work of Takamura-Yamada group (School of Materials Science, JAIST), Hasegawa group (ISSP, Univ. Tokyo), and Ozaki group was published in Appl. Phys. Lett. (Published online January 16). Appl. Phys. Lett. 104, 021605 (4 pages) (2014)
• The study entitled “First-principles electronic transport calculations of graphene nanoribbons on SiO2/Si” in collaboration with Fujitsu Lab. Ltd. was published in Appl. Phys. Express (2014 February issue, published online January 14). Appl. Phys. Express 7, 025101 (4 pages) (2014)
• JAIST, School of Materials Science 「平成25年度M1研究計画発表会 (M1 research project presentation)」 was held. M1 members gave presentations in the following titles (9 December, 2013). We hope for future progress in thier research.
  • First-principles study of Fe-N and Sm-Fe-N magnets (T. Momoi)
  • Exploration of new structures of alloys by molecular dynamics simulations with a neural network potential method (Y. Yamanouchi)
  • Investigation of magnetic anisotropic energy by crystal field analysis (K. Yamauchi)
• The paper by Truong Vinh Truong Duy (Postdoctoral fellow) entitled "A three-dimensional domain decomposition method for large-scale DFT electronic structure calculations" was published in the CPC (Availrable Online 23 November 2013, 2014 March issue). Comput. Phys. Commun. 185, 777-789 (2014)
• Truong Vinh Truong Duy (postdoctoral fellow) gave a poster presentation at The International Conference for High Performance Computing, Networking, Storage and Analysis ( SC13 website).
  • DATE: November 20-21, 2013
  • PLACE: Denver Convention Center, Denver, Colorado, USA
  • TITLE: Massive Parallelization of a Linear Scaling DFT Code OpenMX. (Truong Vinh Truong Duy and T-Ozaki)
• The paper by Truong Vinh Truong Duy (Postdoctoral fellow) entitled "A decomposition method with minimum communication amount for parallelization of multi-dimensional FFTs" was published in the CPC (Availrable Online 13 September 2013, 2014 January issue). Comput. Phys. Commun. 185, 153-164 (2014)
• Short-term students from Thailand visited Ozaki-Lab. ( Photos from Welcome party, a day trip with Lab mambers, and final presentation) （October 21 - December 1, 2013）
• 7th & 8th Simulation Science Seminars（November 5 & 18, 2013).
  JAIST, Research Center for Simulation Science (RCSS) Website
• JAIST, School of Materials Science "interlaboratory softball tournament 2013" was held. Mixed team with Ozaki-lab and Murata-lab won the championship (October 13, 2013). (Photos of the game & the members of a team)
• The paper by Chi-Cheng Lee (Postdoctoral fellow, in collaboration with Takamura-Yamada Lab.) was published in the PRB (October 4, 2013). Phys. Rev. B 88, 165404 (10 pp) (2013)
• Assoc. Prof. Ozaki gave a lecture at 15th J-BEANS Seminar (JAIST HP: J-BEANS seminar's web site).
  • DATE/TIME: 12:40-13:20, October 25, 2013
  • PLACE: J-BEANS (1F, Institute Hall, JAIST)
  • TITLE: Crossover between materials and information sciences
  • SPEECH: Japanese (The slides are written in English.)
• An open source parallel library for computing three-dimensional Fast Fourier Transforms (3-D FFTs): OpenFFT ver. 1.0 has been released on the website (September 6th, 2013).
  (http://www.openmx-square.org/openfft/)
• College students came to visit to our laboratory (Trial Enrollment) （September 2nd-6th, 2013）.
• The paper by Sheela Sathya Subramanian (Visiting Ph.D. student, a former member) was published in the Journal of Physics: Condensed Matter. (29 August 2013) J. Phys.: Condens. Matter 25 385901 (8pp) (2013)
• 6th Simulation Science Seminars (August 26th 13:30-16:20, 27th 9:10-12:00, 2013 ).
• The paper by Chi-Cheng Lee (Postdoctoral fellow, in collaboration with Takamura-Yamada Lab.) was published in the Journal of Physics: Condensed Matter. (2 August 2013) J. Phys.: Condens. Matter 25 345501 (9pp) (2013)
• College students came to visit to our laboratory ( Trial Enrollment)（August 5-9th, 2013）.
• [JAIST Summer School 2013] was held from July 29 to August 2nd. We discussed the fundamentals and applications of density functional theory. (http://www.openmx-square.org/workshop/SS13 )
  (Thanks for attending. Programs and Photos, here)
• Truong Vinh Truong Duy (postdoctoral fellow) gave a poster presentation at 27th International Conference on Supercomputing ( ICS2013 website).
  • DATE: June 10-14, 2013
  • PLACE: Eugene, Oregon, USA
  • TITLE: A Massively Parallel Domain Decomposition Method for Large-Scale DFT Electronic Calculations. (Truong Vinh Truong Duy and T-Ozaki)
  • TITLE: A decomposition method with minimal amount of communication for parallelization of multi-dimensional FFTs. (Truong Vinh Truong Duy and T-Ozaki)
• The latest version of OpenMX Ver. 3.7 has been released on the website (May 23rd, 2013).
  (http://www.openmx-square.org )
• Figure from collaborative work of Takamura-Yamada group, Rainer Friedlein group (School of Materials Science, JAIST), and Ozaki group made the cover of the BUTSURI (The Nihon Butsuri Gakkaishi = Membership journal of the Physical Society of Japan). (Cover of the BUTSURI Vol. 68, no. 5, 2013 )
• The study entitled “First-principles study of interface structure and energy of Fe/NbC” in collaboration with Nippon Steel and Sumitomo Metal Corp. was published in Modelling Simul. Mater. Sci. Eng. (2013 April issue)
  Modelling Simul. Mater. Sci. Eng. 21 045012 (12pp) (2013)
• Assoc. Prof. Ozaki gave a lecture about OpenMX at "OpenMX・QMAS・TOMBO seminar" (CMRI website).
  • DATE: March 14-15, 2013
  • PLACE: Unit AIST Kansai
  • TITLE: 第一原理電子状態計算コード: OpenMX -原理と実際-
• The study entitled "First-Principles Study of Multiterminal Quantum Interference Controlled Molecular Devices" in collaboration with fUJIFILM Co.was published in J. Phys. Chem. C (2013 January issue). J. Phys. Chem. C 117, 100-109 (2013)
• Truong Vinh Truong Duy (postdoctoral fellow) gave a lecture at SIAM Conference on Computational Science and Engineering ( CSE2013 website).
  • DATE: February 25 - March 1, 2013
  • PLACE: Boston, Massachusetts, USA
  • TITLE: A three-dimensional domain decomposition method for large-scale ab initio electronic structure calculations. (Truong Vinh Truong Duy and T-Ozaki)
• Assoc. Prof. Ozaki gave an invited lecture at 2nd International Symposium on Hierarchy and Holism in Natural Sciences (ISHH2012 website) .
  • DATE: February 19-21, 2013
  • PLACE: National Center of Sciences, Tokyo
  • TITLE: Massively Parallelized Density Functional Calculations for Large-Scale Systems Including a Hundred Thousand Atoms. (Taisuke Ozaki)
• Truong Vinh Truong Duy (postdoctoral fellow) gave a poster presentation at Symposium on High Performance Computing and Computational Science 2013 ( HPCS2013 website) .
  • DATE: January 15-16, 2013
  • PLACE: Tokyo Tech Front, Kuramae hall
  • TITLE: Massive Parallelization of a Linear Scaling DFT Code OpenMX. (Truong Vinh Truong Duy and T-Ozaki)
• Assoc. Prof. Ozaki gave a lecture at 3rd Meeting of the Computational Materials Science Initiative. ( 3rd Meeting of the CMSI website)
  • DATE: December 3-5, 2012
  • PLACE: NINS Okazaki Conference Center, Aichi, Japan
  • TITLE: 第一原理電子状態計算コード OpenMX の超並列化及び高精度化
• Short-term international students from Thailand. ( Photo from final presentation on 14th Nov. 2012)


• Truong Vinh Truong Duy (postdoctoral fellow) gave a lecture at Conference on Computational Physics ( CCP2012 website) .
  • DATE: October 14-18, 2012
  • PLACE: Nichii Gakkan, Hyogo-ken Kobe-shi Chuo-ku Minatojima Minamimachi 7-1-5 and Integrated Research Center of Kobe University, convention hall and K computer building
  • TITLE: A three-dimensional domain decomposition method for large-scale ab initio electronic structure calculations. (Truong Vinh Truong Duy and T-Ozaki)
• Assoc. Prof. Ozaki gave an invited lecture on large-scale electronic structure calculations at IUMRS-ICEM 2012.
  • DATE: September 23-28, 2012
  • PLACE: Pacifico Yokohama, Kanagawa, Japan
  • TITLE: Massively parallelized O(N) Krylov subspace method for large-scale DFT calculations.
• Assoc. Prof. Ozaki gave a lecture at Nissan Research Center.
  • DATE: September 21, 2012
  • PLACE: NISSAN Research Center, Kanagawa, Japan
  • TITLE: 分子シミュレーション科学 ~ その概要と材料開発における可能性 ~
• Advanced research topics to use supercomputer "K", the three projects in which Assoc. Prof. Ozaki will participate (battery, magnet, structural material) was adopted.
  For more information, hpci-office website


• Assoc. Prof. Ozaki gave lectures about the computational materials science at Nanjing University (China) .
  For more information, Nanjing University website
• DATE: August 20-23, 2012
• PLACE: Nanjing University (China)
• Assoc. Prof. Ozaki gave a lecture about the computer simulation at ISP Interchange Seminar 2012.
  • DATE: July 26, 2012
  • PLACE: Ishikawa High-Tech exchange center
  • TITLE: スーパーコンピュータで拓く物質科学の未来
• Assoc. Prof. Ozaki gave an invited lecture on large-scale electronic structure calculations at ISSP-CMSI international workshop/symposium on MAterial Simulation in Petaflops era ( MASP2012 website ).
  • DATE: July 11, 2012
  • PLACE: ISSP, Univ. of Tokyo (Japan)
  • TITLE: Large-scale electronic structure calculations by OpenMX: Current status and future.
• Assoc. Prof. Ozaki gave an invited lecture at SIAM Conference on Parallel Processing for Scientific Computing 2012 ( PP12 website ) .
  • DATE: February 15-17, 2012
  • PLACE: Savanna,Georgia, USA
  • TITLE: Low-order Scaling Density Functional Methods Based on Quantum Nearsightedness. (Taisuke Ozaki)
• Website open (Jul. 2012)