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: rocio.semino@sorbonne-universite.fr
PhD Researchers
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.
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.
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.
Postdoctoral Researchers
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.
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.
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:
Alumni
Cecilia Alvares (PhD, 2021-2024). Currently postdoctoral researcher at the University of Warwick, United Kingdom.
Maria del Mar Cammarata (visiting PhD student, September/October 2023). Currently PhD at the University of Buenos Aires, Buenos Aires, Argentina.
Mariana Sosa (visiting PhD student, May/June 2022). Currently postdoc at Max Planck Institute for Polymer Research, Mainz, Germany.
Salvador R. G. Balestra (postdoctoral researcher, 2019-2020). Currently Ramon y Cajal Tenure Track Fellow at the Universidad de Sevilla, Spain.
Us, before
