Bio



OVHPA - Okadome Valencia, Hubert

Born 9/09/1977 in Brest, France; with permanent residence in Japan.

Researcher at IMASS, Nagoya Univ.

Background in Theoretical Chemistry and Computer Science.


Interested in new algorithm, new materials, and new science ;)


EDUCATION
2006 Ph.D. in Quantum Chemistry (French) Poitiers U.
Supervisor: Gilles Frapper; PhD Director: Michel Pélissier
2003 Master in Informatics & Theoretical Chemistry N/A Henri Poincaré U.
Supervisor: Gilles Frapper

EXPERIENCE
2017 ~ now Researcher IMASS Nagoya University
2012 ~ 2017 Researcher RIAM Kyushu University
2007 ~ 2012 Researcher UBIQUEN now RIECEN, AIST
2007 Research Eng. LACCO now IC2MP, Poitiers U.

PUBLICATIONS
2020 B. Wang, et al. JPCC 124, 8080. https://doi.org/10.1021/acs.jpcc.9b11404
2017 A. Kusaba, et al. JJAP 56, p. 070304. Thermodynamic analysis of (0001) and (0001) GaN metalorganic vapor phase epitaxy
2017 H. Valencia, Y. Kangawa, and K. Kakimoto JJAP (RC) 56, p. 060306. Ab initio model for GaAs1%xNx chemical beam epitaxy using GaAs(100) surface stability over As2, H2, and N2
2017 H. Valencia, Y. Kangawa, and K. Kakimoto JCG 468, pp. 557-561. Chemical beam epitaxy of GaAs 1-x N x using MMHy and DMHy precursors, modeled by ab initio study of GaAs(100) surfaces stability over As 2 , H 2 and N 2
2015 H. Valencia, Y. Kangawa, and K. Kakimoto JCG 432, pp. 6-14.
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
2015 H. Valencia, A. Gil, G. Frapper JPCC 119, 5506. 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
2013 Hubert Valencia, 香山正憲, 田中真悟, 松本一 JSSSJ 34(12). First-Principles Study of Ionic-Liquid/Li-Metal Interfaces
2012 香山 正憲, Hubert VALENCIA, 田中 真悟, 松本 一 Electrochem. 80(11), 920. 1．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
2012 H. Valencia, M. Kohyama, S. Tanaka and H. Matsumoto JPCC 116, 8493. First-principles study of EMIM-FAFSA molecule adsorption on a Li(100) surface as a model for Li-ion battery electrodes
2011 H. Matsumoto, et al. 220th ECS, P#194.
2010 H. Valencia, A. Gil, G. Frapper JPCC 114, 14141. Trends in the adsorption of 3d transition metal atoms onto graphene and nanotube surfaces: A DFT study and molecular orbital analysis
2009 H. Valencia, M. Kohyama, S. Tanaka and H. Matsumoto JCP 131, 244705. 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.
2008 H. Valencia, M. Kohyama, S. Tanaka and H. Matsumoto PRB 78, 205402. Ab initio study of EMIM-BF4 molecule adsorption on Li surfaces as a model for ionic liquid/Li interfaces in Li-ion batteries
2008 A. Baylet, et al. PCCP 10, 5983. Effect of palladium on the reducibility of Mn based materials: correlation with methane oxidation activity.

BOOKS
2020 Okadome Valencia "Computer Science for theoretical chemists & physicists"

CODES & PROJECTS
HPNN A neural network library optimized for high performance.
GDIS Adaptation of the GDIS visualization software
to the USPEX and VASP calculation software.
Subscribe to: Posts (Atom)