Curriculum Vitae
Research keywords
Computational and theoretical chemistry | Molecular Modeling | Biomolecules | Enzyme Reactivity |
Quantum Chemistry | Molecular Mechanics | QM/MM Methods | Molecular Dynamics |
Semiempirical Methods | Linear Scaling Algorithms | Reaction Paths | Protein pKa |
Positions
- since 2020: Infrastructure Architect at Rakuten Group, Tokyo.
- 2016-2020: Director of the EXPLOR High Performance Computing Center hosted by the Université de Lorraine
- since 2007: Professor of Computational Chemistry, Université de Lorraine (on leave since 2020)
- 1999-2007: Associate Professor of Computational Chemistry, Université Henri Poincaré - Nancy I
- 1998-1999: Post-doctoral fellow, Pennsylvania State University (group of Prof. Kenneth M. Merz, Jr.)
Education
- 2006: Habilitation in Computational and Theoretical Chemistry, Université Henri Poincaré - Nancy I
- 1994-1998: Ph.D. in Computational and Theoretical Chemistry, Université Henri Poincaré - Nancy I, under the supervision of Prof. Jean-Louis Rivail
- 1993-1994: M.S. in Computational and Theoretical Chemistry, Université Henri Poincaré - Nancy I
- 1991-1995: M.S. in Physical Chemistry, Ecole Normale Supérieure de Lyon (ENS Lyon)
- 1989-1991: "Classes préparatoires aux Grandes Ecoles", Louis-Le-Grand, Paris
Research Activities
Research Record
- Scientific production: 48 articles in international peer reviewed journals
- Other publications: 3 book chapters
- h-index: 26 (source: Google Scholar)
- Invited talks in national or international meetings: 20
- Invited lectures: 7
- Invited talks in institutions: 13
Student supervised
- 8 Ph.D. students
- 11 M.S. students
Grants, Honors & Awards
Scientific collaborations (as PI) | Years | Funding sources |
---|---|---|
Bogazici University, Turkey | 2013-2014 | CNRS - Tubitak |
2009-2010 | CNRS - Tubitak | |
2006-2007 | PHC Bosphorus | |
Istanbul Technical University, Turkey | 2016-2017 | PHC Bosphorus |
2014-2015 | PHC Bosphorus | |
University of Copenhagen, Denmark | 2010 | Frency Embassy |
2010 | French-Danish mobility program |
Industrial Research Contracts | Years |
---|---|
Sanofi Aventis | 2003-2005 |
Aventis Pharma | 2001-2002 |
Scientific collaborations (as a participant) | Years | Funding sources |
---|---|---|
ANR Blanche: CREAM | 2009-2012 | Agence Nationale de la Recherche |
ACI IMPBio: SIRE | 2004-2007 | French Ministry of Research |
ACI GRID: GRID-ASP | 2002-2005 | French Ministry of Research |
Conferences organized or co-organized
- 2 CECAM workshops
- 1 ACS meeting
Teaching
- B.S. in Physics & Chemistry: Atoms and Chemical Bonding
- B.S. in Life Sciences: Atoms and Chemical Bonding
- M.S. in Chemistry, year 1: Molecular Modeling
- M.S. in Chemistry, year 2: Biopolymers and Molecular Modeling of biomolecular systems
- French Network of Theoretical Chemistry (M.S. level): Combined QM/MM Methods, Fortran, Python, Unix Scripting, Linear Scaling Methods in Chemistry, ...
Research Administration
Current academic duties
- Director of the EXPLOR High Performance Computing Center hosted by the Université de Lorraine (HPC regional centre, 3.0 millions € of budget for 2015-2018)
- Elected member of the laboratory council (SRSMC laboratory, 2015-2017)
- Board member of the CNRS Research Groupe CORREL (Correlated Methods for Electronic Structure) since 2011
- Board member of the French Network of Theoretical Chemistry (since 2010)
- Mailing-list administrator of the French Network of Theoretical Chemistry (
rctf-membres@asso.univ-lorraine.fr
)
Expertise and editorial activities
- Member of the AMBER software development team
- Member of the Editorial Board of Computatioal Chemistry Highlights
- Expert for Agence National de la Recherche (ANR), French and European Computating Facilities (GENCI & PRACE)
- Board member of the Scientific Council of the HPC Centre of the Université de Strasbourg (since 2017)
- Referee for various peer reviewed journals: Eur. J. Med. Chem., J. Chem. Inf. Model., J. Chem. Theory. Comput., J. Mol. Biochem., J. Molec. Model., J. Phys. Chem., Theor. Chem. Acc., etc.
- Member of Ph.D. thesis committees: 19 included 4 abroad (Spain, Turkey)
- Panel member for academic hiring: 4
Miscellaneous
- Member of the American Chemical Society and of the Société Française de Biophysique (GGMM subsection: Groupe de Graphisme et de Modélisation Moléculaire)
- Computer programming: C, Fortran, Python, MPI, OpenMP, High Performance Computing (HPC)
- Use of various HPC national and regional centers; GPU computations
- Knowledge of web development (html, wikis, SQL, mailing-list)
- Software development (git)
- Hardware and software administration (installation and maintenance of a ~500 core cluster:Linux administration, Queuing system, NFS, Storage arrays, etc.)
- 1997: 12 months military service as scientist hosted by the laboratory "Structure et Réactivité aux Interfaces", Université Pierre et Marie Curie, Paris