报告题目：computational aided development of mof based membranes for gas separation
报告时间：2024年7月25日9：00
报告地点：16-921
报告人：Guillaume MAURIN
报告人简介：
Guillaume MAURIN，1999-2001: PhD in Physical Chemistry “Interactions between alkali cations & porous solids : case of the Na+/zeolite & Li+/carbon nanotube”, Université Montpellier 2 (France), with honors.
2001-2002: Marie Curie Individual Fellowship Postdoctoral Research Assistant “Modelling gas & vapour adsorption in zeolites”, The Davy Faraday Research Laboratory, Royal Institution of Great Britain, London (UK).
04/2011- : Full Professor in Physical Chemistry, ICGM UMR 5253 CNRS Université Montpellier- Institut Universitaire de France.
Thematic research Area:
1. Adsorption & diffusion of confined species (gas, vapors, drugs) in inorganic (zeolites), organic (rubbery organic frameworks) & hybrid (MOFs) porous materials: High-throughput screening, Understanding & Rationalization via forcefield Monte Carlo & Molecular Dynamics, quantum calculations and statistical tools
2. Stimuli (guest adsorption, thermal, mechanical and electrical) structure responsive behaviors of flexible MOFs: Flexible Force field and hybrid Monte Carlo/Molecular Dynamics methodology development.
3. Structure prediction of MOF materials: Development of “automated assembly of secondary building units” software
4. Exploration of the solid/solid and solid/gas interface in MOF-based composites (MOF/polymer, MOF/graphene oxide) towards the exploration of mixed matrix membranes for gas separation: Development of an integrated computational approach implementing force field Molecular Dynamics and quantum calculations tools.
5. Catalysis by MOFs: quantum calculations.
报告简介：
computational aided development of mof based membranes for gas separation
代表性论文：
[1] Angew. Chem. Int. Ed. 2024, 63, e202320008.
[2] Nat. Commun. 2024, 15, 3251.
[3] Adv. Mater. 2024, 36, 2211302.
[4] Adv. Sci. 2024, 11, 2401070.
[5] Angew. Chem. Int. Ed. 2023, 62, e202218679.
[6] Nature, 2022, 606, 706.
[7] Science, 2022, 376, 1080.
