Research interests
Incommensurate grain boundaries; resulting hypo-friction.
Semiconductor alloys.

Biography
• 2019-2021 - Scientific advisor at CEA-MEM
• 2019 - Retiring
• 2008-2021: Research staff member of L_Sim laboratory at the CEA-Grenoble.
• 2002-2008 - Head of the L_Sim laboratory.
○ Evaluation of L_Sim (pdf) from the scientific committee report on INAC (pdf) for the period 2005-2009.
○ Evaluation of L_Sim (pdf in French) - scientific committee for SP2M in 2003.
• 2002-2003 - Visiting Scientist at the Lawrence Berkeley National Laboratory(LBL) [Californie, USA].
• 2002 - Creation of the L_Sim laboratory.
• 1985 - Research staff member of the fundamental-research Department (département de recherche fondamentale - DRF) of the CEA organization at Grenoble, France.
• 1984-1985 - Post-Doc at the Watson Research center, IBM at Yorktown Heights [New York state, USA].
• 1984 - PhD thesis [Grenoble University, France].
• 1979 - Graduate from the "Institut National Polytechnique de Grenoble" (INPG): IEG "section Génie Physique".

My work is a balance between three pillars: code development, theoretical studies, and simulations in collaboration with experimentalists:
• I am developing a set of computer tools (Sim.d3 and Magnet_Sim) to perform Molecular Dynamics simulations using interatomic potentials, on one hand, and magnetic simulations of systems of atomic Heisenberg spins, including an original multiscale coupling to micromagnetism, on the other hand.

• I have established results in a variety of systems, including: supergliding of grain boundaries (2010 & 2000), asymmetric pinning of magnetic domain walls (2007), incommensurate structure of an interface in gold (1999), unusual hexagonal structure of nickel in multilayers (1995), icosahedral order in liquid (1993), possibility of quasicrystalline ground states (1988), 2D glass transition (1985), and a structural description of metallic glasses (1984).

• From cross-talks between experiment and theory, I have contributed to explain atomic structures and materials properties in close collaboration with experimentalists, especially in electron microscopy and synchrotron-X-ray diffraction: magnetic semi-conductors, grain boundaries, bubbles in magnetism with their vortex and domain walls, surface reconstructions, diffraction diagrams of quasicrystals, multilayer materials, metallic liquids, amorphous structures... As manager of L_Sim laboratory I have set up collaborations with technological research groups inside the CEA organization, in particular with Leti (electronics) and Spintec (spintronics), as well as with the company STmicroelectronics. Our group went from 4 researchers and PhD students in 2002 to 15 in 2008. Tools for collaborative programming have been set up through networking inside CEA and with external collaborators.

Thematic list (selection)
• Incommensurate structures
Superglide at an internal incommensurate boundary(2010)
Quasicrystalline gold interface with a hypo-friction property(2000)

• Si and Ge alloys
Interface-driven phase separation in multifunctional materials: the case of GeMn ferromagnetic semiconductor(2012)
Strain and correlation of self-organized GeMn nanocolumns embedded in Ge (001)(2010)
Germanium diffusion mechanisms in silicon from first principles(2007)

• Magnetism
Probing magnetic singularities during magnetization process in FePd films(2009)
Multiscale method for Heisenberg spin simulations(2008)
Pinning of magnetic domain walls to structural defects in thin layers within a Heisenberg-type model(2007)

• Surfaces
Stability of the chevron domain at triple-line reconstructions(2004)
Structure determination of the (3√3x3√3) reconstructed α-Al203(0001) (2002)
Relaxation of a grooved profile cut in a crystalline surface of high symmetry(1997)

• Monte Carlo methods
Class of Monte Carlo algorithms for dynamic problems leads to an adaptive method(1999)
Simulation of interstitial diffusion in an amorphous structure (1985)

• Quasicrystals
On choosing proper basis for determining structures of quasicrystals(1994)
Thermodynamical properties of a two-dimensional quasi-crystal from molecular dynamic calculations(1986)

• Liquids
Bond-orientational order in liquid Aluminium_80-transition metal_20 alloys(1993)

• 2D glass transition
Crystal, liquid and glass in 2 dimensions. Analysis of the glass transitions (1985)

• Metallic glasses
Structural description of a metallic glass model(1984)

PhD thesis supervisor
Theoretical study of the structure and stability of GeMn alloys in the context of spintronics. A prototype magnetic semiconductor confronted with experimental result.
(2010), Emmanuel ARRAS

Modeling of the structural, electronic and optical properties of GaN/AlN nitride nanowires.
(2010), Dulce Carolina CAMACHO MOJICA

Multiscale approach for magnetism. Application to structural heterogeneities and magnetic singularities.
(2008), Thomas JOURDAN

Multi-scale simulations of defects diffusion in Si and SiGe semiconductors.
(2005), Damien CALISTE

Wavelets in electronic structure calculation.
(2005), Claire CHAUVIN

Études de surfaces et d'interfaces dans le cadre de la physique statistique.
(1999), Erwan ADAM [ pdf - 15 Mb]

Modélisation des multicouches métalliques Au(001)/Ni, Ag(001)/Ni et Au(001)/Co. »
(1995), Thierry DEUTSCH [ pdf - 3 Mb]