Updated on 2021/08/20

写真a

 
VALENCIA Hubert Patrick Alexandre
 
Organization
Graduate School of Engineering Materials Physics 1 Designated assistant professor
Title
Designated assistant professor

Degree 1

  1. PhD in Applied Quantum Chemistry ( 2006.12   Poitiers University ) 

Research Areas 2

  1. Nanotechnology/Materials / Fundamental physical chemistry

  2. Nanotechnology/Materials / Thin film/surface and interfacial physical properties

Research History 5

  1. Nagoya University   Designated assistant professor

    2021.8

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    Country:Japan

  2. Nagoya University   Researcher

    2017.4 - 2021.3

  3. Kyushu University

    2012.4 - 2017.3

  4. 産業技術総合研究所   ユビキタスエネルギー研究部門   研究員

    2007.11 - 2012.3

  5. Poitiers University   Applied Quantum Chemistry Group   Research Engineer

    2007.5 - 2007.10

Education 1

  1. Poitiers University

    2003.9 - 2006.12

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    Country: France

Professional Memberships 2

  1. 日本結晶成長学会

  2. American Chemical Society

Awards 1

  1. 研究奨励賞

    2010.12   一般社団法人 日本MRS  

 

Papers 14

  1. New developments in the GDIS simulation package: Integration of VASP and USPEX

    Valencia Hubert Okadome, Wang Busheng, Frapper Gilles, Rohl Andrew Lloyd

    JOURNAL OF COMPUTATIONAL CHEMISTRY   Vol. 42 ( 22 ) page: 1602 - 1626   2021.8

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    Language:Japanese   Publisher:Journal of Computational Chemistry  

    A popular first principles simulation code, the Vienna Ab initio Simulation Package (VASP), and a crystal structure prediction (CSP) package, the Universal Structure Predictor: Evolutionary Xtallography (USPEX) have been integrated into the GDIS visualization software. The aim of this integration is to provide users with a unique and simple interface through which most of the steps of a typical crystal optimization or prediction work. This involved, for the latter, not only setting up a CSP calculation with complete support for the latest version of USPEX, but also displaying the many structure results by linking each structure geometry and its energy via interactive graphics. For the optimization part, any structure displayed by GDIS can now be the starting point for VASP calculations, with support for its most commonly used parameters. Atomic and electronic structures can be displayed as well as dynamic properties such as total energy, force, volume, and pressure for each ionic step. It is not only possible to start calculations from the GDIS visualization software, using an in-place task manager, but a running calculation can also be followed, allowing a greater control of the simulation process. The GDIS software is available under the GNU public license in its second version.

    DOI: 10.1002/jcc.26697

    Web of Science

    Scopus

  2. Prediction of Novel Tin Nitride SnxNy Phases Under Pressure Reviewed

    Busheng Wang, Rabii Larhlimi, Hubert Valencia, Frédéric Guégan, Gilles Frapper

    The Journal of Physical Chemistry C   Vol. 124 ( 15 ) page: 8080 - 8093   2020.4

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  3. Thermodynamic analysis of (0001) and (000(1)over-bar) GaN metalorganic vapor phase epitaxy Reviewed

    Akira Kusaba , Yoshihiro Kangawa , Pawel Kempisty , Hubert Valencia , Kenji Shiraishi , Yoshinao Kumagai , Koichi Kakimoto , Akinori Koukitu

    JAPANESE JOURNAL OF APPLIED PHYSICS   Vol. 56 ( 7 ) page: 070304 - 070304   2017.7

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    Language:English  

    DOI: 10.7567/JJAP.56.070304

  4. Ab initio model for GaAs1−xNxchemical beam epitaxy using GaAs(100) surface stability over As2, H2, and N2 Reviewed

    Hubert Valencia, Yoshihiro Kangawa, Koichi Kakimoto

    Japanese Journal of Applied Physics   Vol. 56 ( 6 ) page: 060306 - 060306   2017.6

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    Language:English  

    DOI: 10.7567/jjap.56.060306

  5. Chemical beam epitaxy of GaAs1-xNx using MMHy and DMHy precursors, modeled by ab initio study of GaAs(100) surfaces stability over As-2, H-2 and N-2 Reviewed

    Hubert Valencia, Yoshihiro Kangawa, Koichi Kakimoto

    JOURNAL OF CRYSTAL GROWTH   Vol. 468   page: 557 - 561   2017.6

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    Language:English  

    DOI: 10.1016/j.jcrysgro.2016.11.056

  6. Ab initio study of GaAs(100) surface stability over AS(2), H-2 and N-2 as a model for vapor-phase epitaxy of GaAs1-xNx Reviewed

    Hubert Valencia , Yoshihiro Kangawa , Koichi Kakimoto

    JOURNAL OF CRYSTAL GROWTH   Vol. 432   page: 6 - 14   2015.12

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    Language:English  

    DOI: 10.1016/j.jcrysgro.2015.09.005

  7. Trends in the Hydrogen Activation and Storage by Adsorbed 3d Transition Metal Atoms onto Graphene and Nanotube Surfaces: A DFT Study and Molecular Orbital Analysis Reviewed

    Hubert Valencia, Adria Gil, Gilles Frapper

    JOURNAL OF PHYSICAL CHEMISTRY C   Vol. 119 ( 10 ) page: 5506 - 5522   2015.3

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    Language:English  

    DOI: 10.1021/jp512920f

  8. イオン液体/Li金属界面の第一原理計算 Reviewed

    Hubert VALENCIA, 香山 正憲, 田中 真悟, 松本 一

    表面科学   Vol. 34 ( 12 ) page: 650 - 655   2013

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  9. First-Principles Study of EMIM-FAFSA Molecule Adsorption on a Li(100) Surface as a Model for Li-Ion Battery Electrodes Reviewed

    Hubert Valencia, Masanori Kohyama, Shingo Tanaka, Hajime Matsumoto

    JOURNAL OF PHYSICAL CHEMISTRY C   Vol. 116 ( 15 ) page: 8493 - 8509   2012.4

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    Language:English  

    DOI: 10.1021/jp2109797

  10. イオン液体/Li金属界面の第一原理計算:リチウムイオン電池の電解質設計に向けて Reviewed

    香山 正憲, VALENCIA Hubert, 田中 真悟, 松本 一

      Vol. 80 ( 11 ) page: 920 - 924   2012

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  11. Trends in the Adsorption of 3d Transition Metal Atoms onto Graphene and Nanotube Surfaces: A DFT Study and Molecular Orbital Analysis Reviewed

    Hubert Valencia, Adria Gil, Gilles Frapper

    JOURNAL OF PHYSICAL CHEMISTRY C   Vol. 114 ( 33 ) page: 14141 - 14153   2010.8

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    Language:English  

    DOI: 10.1021/jp103445v

  12. Ab initio study of EMIM-BF4 crystal interaction with a Li (100) surface as a model for ionic liquid/Li interfaces in Li-ion batteries Reviewed

    Hubert Valencia , Masanori Kohyama , Shingo Tanaka , Hajime Matsumoto

    JOURNAL OF CHEMICAL PHYSICS   Vol. 131 ( 24 )   2009.12

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    Language:English  

    DOI: 10.1063/1.3273087

  13. Ab initio study of EMIM-BF(4) molecule adsorption on Li surfaces as a model for ionic liquid/Li interfaces in Li-ion batteries Reviewed

    Hubert Valencia , Masanori Kohyama , Shingo Tanaka , Hajime Matsumoto

    PHYSICAL REVIEW B   Vol. 78 ( 20 )   2008.11

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    Language:English  

    DOI: 10.1103/PhysRevB.78.205402

  14. Effect of palladium on the reducibility of Mn based materials: correlation with methane oxidation activity Reviewed

    A. Baylet, S. Royer, C. Labrugere, H. Valencia, P. Marecot, J. M. Tatibouet, D. Duprez

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   Vol. 10 ( 39 ) page: 5983 - 5992   2008

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    Language:English  

    DOI: 10.1039/b808289h

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