Invited SpeakersProfile Details

Prof. Guillaume Maurin
Prof. Guillaume Maurin Université Montpellier & Institut Universitaire de France


​Guillaume Maurin, received his PhD in Physical Chemistry from Université Montpellier 2 (France) in 2001. After a Post-Doctoral Marie Curie Fellowship at the Royal Institution of Great Britain in London (U.K.) in the group of Pr. C.R.A. Catlow, he became Lecturer in 2002 at the Université Provence-Marseille (France) and later at the Université Montpellier 2 where he received his "Habilitation to Direct Research" in 2006. He is currently Professor at the Université Montpellier and at the Institut Universitaire de France. He is head of the "Dynamics & Adsorption in Materials with Porosity" Group at the Institut Charles Gerhardt Montpellier and his research interests include the development and applications of advanced molecular simulations techniques to model the adsorption and diffusion of guest molecules confined in nanoporous materials (zeolites, MOFs) as well as the structural flexibility of certain MOFs upon diverse stimuli (chemical, thermal, mechanical). He has published so far ~190 articles with ~8500 citations.

All sessions by Prof. Guillaume Maurin

  • Day 1Monday, February 20th
Session 2: Advanced Porous Functional Materials/Modeling I
2:30 pm

Modelling of MOFs for Energy & Environment-Related Applications

Molecular simulations have largely contributed to the emergence of Metal Organic Frameworks (MOFs) not only for the resolution of the crystal structures of the most complex and poorly crystallized solids but also to enumerate all the plausible structures constructed by the assembly of a large diversity of inorganic and organic building blocks. Besides this in silico design of novel MOFs which has been only rarely validated so far by the post-synthesis of the desired material, a computational effort has been deployed to modulate the chemical and topological features of existing architectures specifically targeted for societally-relevant applications. Molecular modelling has been also frequently used to guide interpretation of the experimental data by providing a deep understanding of the microscopic adsorption/separation mechanism with the objective to drive the synthesis effort towards tuned materials with the required features for an optimization of their properties. This presentation will highlight the invaluable contribution of the computational approaches from the birth of novel MOFs and their structure elucidations to the characterization and understanding of their properties, throughout recent advances our groups have made in this field. A special emphasizes will be devoted to a series of recent MOFs that have shown spectacular adsorption/separation performances of great importance for methane storage, natural gas upgrading (CH4/N2, CH4/n-C4H10, CH4/CO2/H2O) and air separation (N2/O2).

Building 19 14:30 - 15:00 Details