The Team

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: rocio.semino@sorbonne-universite.fr

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

Email: sahar.andarzi_gargari@sorbonne-universite.fr 

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.

Email: hari-haran.sudhakar@sorbonne-universite.fr

Akanksha Nawani has started her PhD in 2024. She studies the nucleation and crystal growth of metal-organic frameworks via computer simulation techniques within the MAGNIFY project.

Email: akanksha.nawani@sorbonne-universite.fr

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

Email: emilio.mendez@sorbonne-universite.fr 

Sangita Mondal started her postdoctoral stay with us in 2025. She develops coarse grained methods to study the amorphization and crystal growth of metal-organic frameworks within the MAGNIFY project.

Email: sangita.mondal@sorbonne-universite.fr

Anjali Gaur started her postdoctoral stay with us in 2025, in a joint project with Mathieu Salanne and Alessandra Serva. She develops machine learning force fields to model batteries within the HIPOBAT project.

Email: anjali.gaur@sorbonne-universite.fr

Fernanda Rodrigues Leivas started her postdoctoral stay with us in 2025, in a joint project with Mathieu Salanne and Alessandra Serva. She will study Na-ion batteries within the HIPOBAT project.

Email: