Jean-Michel Gillet

Laboratory
Structures, Properties and Modeling of Solids
Key words
Quantum crystallography, electron density, spin density, Compton scattering, X-ray diffraction, polarized neutron diffraction, quantum modeling, ab-initio computing, density matrix, Wigner function
Website

Summary

Professor. Researcher at Structure, Properties and Modeling of Solids lab. My current research interests are mostly in the development of quantum models and methods for refining the electron behavior in molecules and solids through the one-particle reduced density matrix description (1-RDM). It is thus at the junction between ab-initio computations of electrons in molecules or crystalline solids and the design of simple electron 1-RDM or wavefunction parametrized models which can be refined from a variety of experimental data. To this day, experiments of primary interest for this purpose are X-ray high-resolution diffraction, polarized neutron diffraction, Compton scattering (magnetic and total), convergent beam electron diffraction. Other types of experiment are possible as long as they provide accurate information on electron behavior.

Publications (71)

Article in a journal 28/02/2018
Quantum Crystallography: Current Developments and Future Perspectives
Alessandro Genoni , Lukas Bucinsky , Nicolas Claiser , Julia Contreras-García , Birger Dittrich , Paulina Dominiak , Enrique Espinosa , Carlo Gatti , Paolo Giannozzi , Dylan Jayatilaka , Piero Macchi , Anders Ø. Madsen , Louis Massa , Cherif Matta , Kenneth Merz , Philip Nakashima , Holger Ott , Ulf Ryde , Karlheinz Schwarz , Jean-Michel Gillet