The Team

Principal Investigator

Rocio Semino is associate professor in physical chemistry and computational modelling in Sorbonne University, Paris, France. Her research contributes to understanding the structural and dynamical aspects that underlie a large variety of processes involving condensed matter systems, such as the self-assembly and amorphization of porous materials, proton conduction, polymer composites structure and compatibility and challenging gas separations via porous materials-based membranes. She holds an ERC Starting Grant to develop a multiscale modelling methodology to study the self-assembly of metal-organic frameworks.   Email:

PhD Researchers

Cecilia Alvares has started her PhD in 2021. She is currently developing coarse grained models for metal-organic frameworks and their polymer-based binary composites. 


Sahar Andarzi Gargari has started her PhD in 2023. She is working in studying the nucleation and crystal growth of metal-organic frameworks via computer simulation techniques within the MAGNIFY project.


Hari Haran Sudhakar has started his PhD in 2023 co-supervised with Alessandra Serva. He is working on the development and implementation of dual resolution atomistic/ coarse grained simulation approaches to model complex interfaces.


Postdoctoral Researchers

Emilio Mendez has joined us for a postdoc in 2023. He is working in developing computational methods to study the amorphization and crystal growth of metal-organic frameworks within the MAGNIFY project.