Academic 【 display / non-display

  • Kyushu University, Faculty of Science, Department of Chemistry, University, 2001/03, Graduated, JAPAN

  • Kyushu University, Faculty of Science, Department of Chemistry, Graduate School(Master's Course), 2003/03, Completed, JAPAN

  • Kyushu University, Interdisciplinary Graduate School of Engineering Sciences, Department of Applied Science for Electronics and Materials, Graduate School(Doctor's Course), 2005/09, Completed, JAPAN

Degree 【 display / non-display

  • B.Sci., 2001/03

  • M.Sci., 2003/03

  • Dr.Eng., 2005/09

Campus Career 【 display / non-display

  • Graduate School of Humanities and Sciences, Research Organization, the Core Section The Natural/Applied Sciences Division, Associate Professor

  • Faculty of Core Research Natural Science Division, Associate Professor

  • Graduate School of Humanities and Sciences, Education Organization, Doctral Program Advanced Sciences

  • Graduate School of Humanities and Sciences, Education Organization, Doctral Program Advanced Sciences

  • Graduate School of Humanities and Sciences, Education Organization, Master's Program Advanced Sciences

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External Career 【 display / non-display

  • Kyushu University Department of Applied Science for Electronics and Materials, JSPS research fellow (DC2), 2005.04 - 2005.09

  • Kyushu University Department of Applied Science for Electronics and Materials, JSPS research fellow (DC2), 2005.10 - 2007.03

  • Iowa State University Ames Laboratory, Postdoctoral research fellow, 2006.10 - 2008.02

Research Field 【 display / non-display

 

Books 【 display / non-display

  • Recent advances of the fragment molecular orbital method Subtitle: Enhanced performance and applicability

    Ab initio modeling of ionic liquids by means of fragment based molecular theory,, Springer, 2018.07, Mori H., Kuroki N., Yuji. Mochizuki, Research Book, Chapter X

  • Molecular Dynamics

    Recent advances in fragment molecular orbital-based molecular dynamics (FMO-MD) simulation, InTech, 2012.01, Yuto K., Mochizuki Y., Nakano T., Mori H., Lichang Wang, Research Book, Chapter X

Papers 【 display / non-display

  • Applicability of Effective Fragment Potential version 2 - Molecular Dynamics (EFP2-MD) Simulations for Predicting Excess Properties of Mixed Solvents

    Chem. Phys. Lett., 2018.01, Kuroki N., Mori H., Original, Research paper (scientific journal), Capital Author

  • Conformational Properties of Aromatic Oligo amides Bearing Pyrrole Rings

    J. Org. Chem., vol.83(p.4606 - 4617), 2018.03, Tojo Y., Urushibara K., Yamamoto S., Mori H., Masu H., Kudo M.,, Hirano T., Azumaya I., Kagechika H., Tanatani. A, Original, Research paper (scientific journal), Coauthor

  • Origin of high oxygen reduction reaction activity of Pt12 and strategy to obtain better catalyst using sub-nanosized Pt-alloy clusters

    Sci. Rep., vol.7(p.45381(1) - 45381(9)), 2017.03, Miyazaki K., Mori H., Original, Research paper (scientific journal), Capital Author

  • Effective Fragment Potential version 2 - Molecular Dynamics (EFP2-MD) Simulation for Investigating Solution Structures of Ionic Liquids

    Chem. Lett., vol.45(p.1009 - 1011), 2016.05, Kuroki N., Mori H., Original, Research paper (scientific journal), Capital Author

  • Theoretical study on crystal-facet dependency of hydrogen storage rate for shape controlled Pd nano particles

    Chem. Phys. Lett., vol.644(p.255 - 260), 2015.12, Matsuda A., Mori H., Original, Research paper (scientific journal), Capital Author

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Published Article 【 display / non-display

  • Adaptive Application Composition in Quantum Chemistry

    Argonne National Laboratory Preprint , 2009, Li L., Kenny J. P., Wu M.-S., Huck K., Gaenko A., Gordon M. S., Janssen C. L., McInnes L. C., Mori H., Netzloff H., Norris B., Windus T. L., Original, Coauthor, Accepted, Institution technical report and pre-print, etc.

  • Constructing a Performance Database for Large-Scale Quantum Chemistry Packages

    High Performance Computing and Simulation Symposium (HPCS 2008), 2008, Wu M.-S., Mori H., Bentz J., Windus T., Netzloff H., Sosonkina M., Gordon M. S., Original, Coauthor, Accepted, Research paper

  • Theoretical Study on Structures of Gold, Silver, and Copper Clusters Using Relativistic Model Core Potential

    1st WESEA International Conference on Computational Chemistry(p.11 - 13), 2007, Nakashima H., Mori H., Miyoshi E., Original, Capital Author, Accepted, Research paper

  • Application of Newly Developed spdsMCPs for First Row Transition Metal Elements

    1st WESEA International Conference on Computational Chemistry(p.14 - 18), 2007, Osanai Y., Ma San Mon, Noro T, Mori H., Nakashima H, Klobukowski M, Miyoshi , Original, Coauthor, Accepted, Research paper

Presentations 【 display / non-display

  • Applicability of effective fragment potential version 2 - molecular dynamics (EFP2-MD) simulations for predicting excess properties of mixed solvents

    Hirotoshi MORI, Nahoko KUROKI, International, 2018.03, 255th ACS National Meeting, New Orleans, Americal Chemical Society, Not Invited, Main Speaker

  • Theoretical evaluation of diffusion constants of supercritical/liquid ammonia by means of ab initio Effective Fragment Potential ver.2 – MD simulation

    Nahoko KUROKI, Hirotoshi MORI, International, 2018.03, 255th ACS National Meeting, New Orleans, Americal Chemical Society, Not Invited, Coauthor

  • Design of Functional Liquids based on ab initio Materials Informatics

    Hirotoshi MORI, International, 2018.03, International Congress on Pure & Applied Chemistry (ICPAC) 2018, Siem Reap, Cambodia, Invited, Main Speaker

  • A theoretical study on the electronic structure of Fe(III) complex causing photo induced excited spin state trapping

    Hirotoshi MORI, Akane ISE, Domestic, 2017.09, 第67回 錯体化学討論会, 札幌, Not Invited, Main Speaker

  • Is d-Hole Really Informative for Predicting Hydrogen Absorbing Character of Nano Metal/Alloy Materials?: Beyond d-Hole Theory

    Hirotoshi MORI, International, 2016.10, Nano Science & Technology 2016, Singapore, Invited, Main Speaker

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Prize for Research Activities 【 display / non-display

  • 8th JSPS Ikushi Prize

    Japan Society for the Promotion of Science (JSPS), Kuroki N., Mori H., Theoretical design of functional liquid mixtures by means of physicochemical simulations and machine learning, 2018.03, Domestic

  • 優秀ポスター賞

    Symposium on Foldamers 2016, Urushibara K., Mori H., Masu H., Azumaya I., Tanatani A., Helical Oligomers Based on Conformational Property of Aromatic Tertiary Amide, 2016.09, International

  • 4th Asia-Pacific Conference on Theoretical & Computational Chemistry, Best Poster Award

    Asia-Pacific Association on Theoretical & Computational Chemistry, Mori H., Theoretical Design of Dipole Photo Switching Molecule: Ab initio Electronic Structure Study of Aza-substituded pi-electron Systems, 2009.12, International