Research Profile

Seek and you shall find...

CONFERENCES

2022:
• “Theoretical investigation on the effect of transition-metal doping on Seebeck coefficient of SiGe alloy”, APS March Meeting 2022 (2022/03/14-18, McCormick Place, Chicago, Illinois, USA)†§
 • “Influence of transition metal doping on thermoelectric properties of SiGe alloy”, PCoMS Symposium & Annual Meeting of Supercomputing Consortium for Computational Materials Science 2021 (2022/02/14-15, Online via Zoom)†§

2021:
• “On the doping effect of thermoelectric properties of SiGe alloy from first-principles calculations”, CREST Project “Thermal Control” Mini Workshop (2021/12/18, Online via Zoom)†§
• “Construction of interatomic potential from first-principles database by using genetic algorithm”, International Webinar on Computational Material Design (2021/07/13-15, Online via Zoom)†§
• “Effects of transition metal doping on thermoelectric properties of Si0.5Ge0.5 alloy”, CREST Project “Thermal Control” Workshop (2021/03/27, Online via Zoom)†§
• “Enhancement of Seebeck coefficient of SiGe alloy by transition metal doping: A first-principles investigation”, The 168th Annual Spring Meeting of the Japan Institute of Metals and Materials (2021/03/16-19, Online via Zoom)†§
• “Carbon clustering in BCC iron: A kinetic Monte Carlo study”, PCoMS Symposium & Annual Meeting of Supercomputing Consortium for Computational Materials Science 2020 (2021/02/15-16, Online via Zoom)†§

2020:
• “Cluster variation calculations of pair probabilities in multicomponent alloy: Application to the fcc Cr-Fe-Mn-Ni system”, The 166th Annual Spring Meeting of the Japan Institute of Metals and Materials (2020/03/17-19, Tokyo Institute of Technology, Tokyo, Japan)†‡
• “Atomistic kinematics of carbon diffusion and clustering in bcc Fe with point defects”, APS March Meeting 2020 (2020/03/02-06, Colorado Convention Center, Denver, Colorado, USA)†‡

2019:
• “Carbon diffusion and clustering in bcc iron: A kinetic Monte Carlo study”, Workshop on Nanotechnology-Driven Topics (2019/12/10, Osaka University, Osaka, Japan)†
• “Diffusion of carbon in α-Fe in the presence of vacancy”, The 22th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-22) (2019/10/28-30, Osaka University, Osaka, Japan)
• “Atomistic simulations of carbon behavior in bcc iron with point defect”, PCoMS Symposium & Annual Meeting of Supercomputing Consortium for Computational Materials Science 2019 (2019/10/24-25, Tohoku University, Miyagi, Japan)†
• “Atomistically kinetic simulations of carbon diffusion in ɑ-Fe with point defect”, The 32nd Meeting on Computational Mechanics of the Japan Society of Mechanical Engineers (2019/09/16-18, Toyo University, Saitama, Japan)†
• “Atomistically kinetic simulations of carbon behavior in bcc iron with point defect”, The 35th Computational Materials Design (2019/09/02-06, Osaka University, Osaka, Japan)†
• “Cluster expansion simulations of Fe-C alloys with point defects: Atomic and effective cluster interactions”, The 164th Annual Spring Meeting of the Japan Institute of Metals and Materials (2019/03/20-22, Tokyo Denki University, Tokyo, Japan)†

2018:
• “Diffusion properties of carbon in Fe-C alloy using new Tersoff potential”, The 31st Meeting on Computational Mechanics of the Japan Society of Mechanical Engineers (2018/11/23-25, Tokushima University, Tokushima, Japan)†
• “Diffusion properties of carbon in ɑ-Fe”, PCoMS Symposium & Annual Meeting of Supercomputing Consortium for Computational Materials Science 2018 (2018/10/22-23, Tohoku University, Miyagi, Japan)†
• “Cluster expansion method study on the effective interaction in Fe-C alloys”, The 163rd Annual Fall Meeting of the Japan Institute of Metals and Materials (2018/09/19-21, Tohoku University, Miyagi, Japan)†
• “Construction of interatomic potential for Fe-C systems using evolutionary algorithm”, APS March Meeting 2018 (2018/03/05-09, Los Angeles Convention Center, Los Angeles, California, USA)†

2017:
• “Interatomic potentials for carbon in iron based on density functional theory”, PCoMS Symposium & Annual Meeting of Supercomputing Consortium for Computational Materials Science 2017 (2017/11/09-10, Tohoku University, Miyagi, Japan)†
• “New atomic potential of Fe-C binary system for phase transformation of heterogeneous materials”, The 161st Annual Fall Meeting of the Japan Institute of Metals and Materials (2017/09/06-08, Hokkaido University, Hokkaido, Japan)†

2016:
• “Development of interatomic potentials of Fe-C binary system for atomistic materials design of new heterogeneous iron”, PCoMS Symposium & Annual Meeting of Supercomputing Consortium for Computational Materials Science 2016 (2016/10/17-18, Tohoku University, Miyagi, Japan)†
• “Interatomic potentials for modeling hydrogen and carbon interaction near lattice defects in the Fe-C-H system”, International Workshop on Quantum Engineering Design: Materials Design and Realization (2016/03/24-26, Osaka University, Osaka, Japan)†
• “Atomistic materials design of new iron with highly-tuned strength, ductility and fracture toughness: Interatomic potential development”, PCoMS Kick-off Meeting (2016/02/26, Tohoku University, Tokyo, Japan)†

2015:
• “Hydrogen and carbon interactions near lattice defects in bcc iron by combined theoretical methods”, The 2015 MRS Fall Meeting & Exhibit (2015/11/29-12/04, Hynes Convention Center, Boston, Massachusetts, USA)
• “Atomistic modeling of hydrogen-vacancy-carbon interaction in α-iron”, The 9th International Conference on Computational Physics (2015/01/07-11, National University of Singapore, Singapore)

2014:
• “Hydrogen-vacancy-carbon formation in bcc iron: First-principles study”, The 9th General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization (2014/12/20-22, Okinawa Institute of Science and Technology, Okinawa, Japan)

2013:
• “NO oxidation on oxygen pre-covered Ptn/CeO2(111)”, The 54th Annual Symposium of the Vacuum Society of Japan (2013/11/26-28, International Congress Center EPOCHAL, Tsukuba, Japan)
• “NO oxidation on CeO2-supported Pt4 cluster: A DFT+U study”, Quantum Engineering Design Workshop (2013/10/25, Osaka University, Osaka, Japan)†
• “First-principles study on NO adsorption and oxidation on metallo-macrocycles and ceria-supported Pt cluster”, Mini Symposium on Computational Chemistry for Material Applications (2013/07/15-16, National University of Malaysia, Selangor, Malaysia)†
• “NO oxidation on O pre-covered Pt4/CeO2”, OU-TUM Workshop: Trends in Catalysis (2013/05/16, Osaka University, Osaka, Japan)†
• “Theoretical investigation on NO oxidation on O pre-covered Pt4/CeO2”, International Workshop on the Theory of Dense Kondo Systems (2013/03/19-20, Osaka University, Osaka, Japan)†

2012:
• “DFT+U investigation on the adsorption and dissociation of oxygen on Pt-coated Ceria”, The 53rd Annual Symposium of the Vacuum Society of Japan (2012/11/14-16, Konan University, Kobe, Japan)
• “DFT+U investigation on the adsorption and dissociation of oxygen on Pt-coated Ceria”, International Workshop on Current Surface Science Trend (2012/11/08, Osaka University, Osaka, Japan)†
• “O2 adsorption and dissociation on CeO2-supported Pt nanoparticles: A DFT+U study”, The 5th International Symposium on Atomically Controlled Fabrication Technology (2012/10/22-24, Osaka University, Osaka, Japan)
• “Porphyrins and macrocycles: From basics to applications”, ECS 221st Meeting (2012/05/06-10, Washington State Convention Center, Seattle, Washington, USA)†

2011:
• “Spin effects in metal surface reactions: O2 on ferromagnetic Pt”, AVS 58th International Symposium & Exhibition (2011/10/30-11/04, Nashville Convention Center, Nashville, Tennessee, USA)
• “Oxygen dissociation on metal oxide-supported Pt cluster”, The 4th International Symposium on Atomically Controlled Fabrication Technology (2011/10/31-11/02, Osaka University, Osaka, Japan)
• “Oxidation of metal and metal oxide systems”, Asia Computational Materials Design Workshop (2011/10/10-12, De La Salle University, Manila, Philippines)†
• “Computational Materials Design case studies: Oxidation of metal/metal oxide systems”, International Conference on Quantum Simulations and Design (2011/09/27-29, Max Planck Institute, Dresden, Germany)†
• “Oxygen dissociative adsorption on Pt4/CeO2(111) surface”, The First JSMS Symposium on Multiscale Materials Modeling (2011/05/23-24, Osaka University, Osaka, Japan)
• “First-principles study on nitric oxide adsorption on metal tape-porphyrins”, Asia Computational Materials Design Workshop (2011/02/15-17, Mahidol University, Bangkok, Thailand)†

2010:
• “Adsorption of nitric oxide on metal porphyrin tape”, Asia Computational Materials Design Workshop (2010/12/16-18, Hue University, Hue, Vietnam)†
• “Adsorption of nitric oxide on various metal phthalocyanines films by first-principles study”, The 3rd International Symposium on Atomically Controlled Fabrication Technology (2010/11/24-26, Osaka University, Osaka, Japan)
• “Theoretical study on the oxygen vacancy formation in different platinum-coated CeO2 surfaces of diesel oxidation catalysts”, The 27th European Conference on Surface Science (2010/08/29-09/03, Martiniplaza, Groningen, Kingdom of The Netherlands)
• “Theoretical study on the adsorption of NO on metal phthalocyanines for biosensor application”, International Conference on Core Research and Engineering Science of Advanced Materials & Third International Conference on Nanospintronics Design and Realization (2010/05/30-06/04, Osaka University, Osaka, Japan)
• “Computational Materials Design of molecular bridge systems for potential applications as nano-electronics devices”, International Conference on Core Research and Engineering Science of Advanced Materials & Third International Conference on Nanospintronics Design and Realization (2010/05/30-06/04, Osaka University, Osaka, Japan)†
• “Nitric oxide adsorption effects on metal phthalocyanines”, OU-DLSU Academic Research Workshop (2010/05/27-28, Osaka University, Osaka, Japan)†

2009:
• “The role of metal porphyrin tape as sensor in detecting NO gas”, Asia Computational Materials Design Workshop (2009/11/26-28, Ha-Noi University of Science, Ha-Noi, Vietnam)†
• “DFT study of oxygen vacancy formation in a diesel oxidation catalyst: Pt/CeO2(111)”, AVS 56th International Symposium & Exhibition (2009/11/08-13, San Jose Convention Center, San Jose, California, USA)
• “A DFT study on adsorption of NO on various functional molecular nanowires”, Japanese Physical Society Meeting (2009/09/25-28, Kumamoto University, Kumamoto, Japan)
• “Theoretical study on interaction of NO with metal tape-porphyrins”, First International Symposium on Atomically Controlled Fabrication Technology (2009/02/16-17, Osaka University, Osaka, Japan)

2008:
• “NO adsorption effects on metal tape-porphyrins”, GCOE International Workshop (2008/11/25-27, Osaka University, Osaka, Japan)†
• “DFT study on the adsorption of NO on various metal tape-porphyrins”, International Symposium on Surface Science and Nanotechnology (2008/11/09-13, Waseda University, Tokyo, Japan)
• “The adsorption of NO on various metal tape-porphyrins”, ITB-OU Academic Research Workshop (2008/06/30, Osaka University, Osaka, Japan)†
• “Adsorption of NO on various metal tape-porphyrins by first-principles study”, International Conference on Quantum Simulators and Design 2008 (2008/05/31-06/03, National Museum of Emerging Science and Innovation, Tokyo, Japan)

2007:
• “The adsorption of diatomic molecules on iron tape-porphyrin: A comparative study”, International 21st Century COE Symposium on Atomistic Fabrication Technology 2007 (2007/10/15-17, Osaka University, Osaka, Japan)
• “A theoretical study on the interaction between iron tape-porphyrin and CO, NO, and O2”, Handai Nanoscience and Nanotechnology International Symposium (2007/09/26-28, Osaka University, Osaka, Japan)
• “DFT study on the binding of CO, NO, and O2 to iron tape-porphyrin”, International Workshop on Quantum Simulation 2007 (2007/09/13, Osaka University, Osaka, Japan)†
• “O2 adsorption effects on electronic properties of Fe tape-porphyrin”, International Science and Engineering Workshop (2007/05/15, Osaka University, Osaka, Japan)†
• “DFT study on O2 adsorbed Fe tape-porphyrin”, The 3rd International Workshop on Reactions Involving Oxygen (2007/05/10, Osaka University, Osaka, Japan)†

2006:
• “DFT study of Jahn-Teller effect in BaTiO3”, The 3rd International Workshop on Nanophysics and Nanotechnology (2006/12/06-09, Ha-Long, Vietnam)
• “Study of electronic properties of perovskite BaTiO3”, The 4th Workshop on Simulation & Modeling Physics (2006/11/22-24, Institute of Physics, Ha-Noi, Vietnam)†
• “Calculation of electronic properties of BaTiO3 using DFT method”, HUS Scientific Conference (2006/11/11, Ha-Noi University of Science, Ha-Noi, Vietnam)
• “First-principles calculation for BaTiO3”, The 31st National Conference on Theoretical Physics (2006/08/22-25, Hon-Ngu Hotel, Cua-Lo, Nghe-An, Vietnam)

† Oral presentation
‡ No presentation due to COVID-19 pandemic
§ Online presentation due to COVID-19 pandemic