Rocio Semino

April 2025: Hari Haran Sudhakar and Rocio Semino are attending the "Modeling & simulation of fluid-structure interactions across scales" CECAM workshop in Ljubljana, Slovenia. 

April 2025: We are happy to welcome Fernanda Rodrigues Leivas for a postdoc within the HIPOBAT project and wish her the best for her life in Paris. 

March 2025: Congratulations to Cecilia Alvares for the publication of our article on coarse graining metal-organic framework/polymer composites! 

Check it out! https://pubs.acs.org/doi/full/10.1021/acs.jctc.4c01341

January 2025: We are thrilled to welcome Sangita Mondal and Anjali Gaur for postdoctoral positions. We wish her them both the very best for their new life in Paris!

November 2024: New publication by Emilio Méndez and Rocio Semino! Our computer simulations have helped locate the ZIF-4-cp polymorph into the ZIF-4 phase diagram, which has been elusive to experimental measurements. Congrats Emilio!   

October 2024: We happily welcome Akanksha Nawani for her PhD within the MAGNIFY project and wish her success and joy in her journey with us. 

24-27th September 2024: We had a great CECAM workshop at Montpellier! Thanks to Romain Dupuis and Jorge Dolado for being the best organizing team and to the speakers that agreed to come:

https://www.cecam.org/workshop-details/bridging-the-atomic-mesoscale-gap-for-complex-interfaces-1316 

16th September 2024: Congratulations Dr. Cecilia Alvares for a great PhD defense! This is the result of three years of hard work. Very proud of the new doctor!  

June 2024: Rocio Semino is presenting the progress made up to now within the MAGNIFY project and other projects in the group at the Crystal Engineering GRC at Newry, Maine, USA. Very thankful to the chair for this invitation! 

June 2024: Congratulations to Hari Haran Sudhakar for a special mention for his poster at the "Electrochemical Interfaces in Energy Storage: Advances in Simulations, Methods and Models" CECAM workshop! 

June 2024: The MAGNIFY team is at FrenchMOF! Emilio Méndez and Sahar Andarzi Gargari are presenting our latest results.

March 2024: Thrilled to announce our new publications on the microscopic mechanism of amorphization of ZIF-4 and on the parameterization and critical assessment of force matching and iterative Boltzmann inversion force fields for modelling ZIF-8. Congratulations to Emilio Méndez and Cecilia Alvares for their brilliant work!

December 1st 2023: Congratulations to Emilio Méndez on getting the 1st poster prize in the Quantum2 CECAM workshop!

November 15th 2023: We are glad to welcome Hari Haran Sudhakar for his PhD in our group and wish him lots of success and a happy life in Paris!

September 24-27th 2023: The MAGNIFY team is at EuroMOF! Please come to visit us in our talks and posters to learn more of what we are currently investigating.

March 1st 2023: We welcome today Emilio Méndez for a postdoc in our group and hope he will have a pleasant and productive stay in France!

February 9th 2023: Congratulations to Cecilia Alvares for the release of our pre-print on applying MARTINI coarse graining force fields to MOFs!

Check it out: https://arxiv.org/abs/2302.04263

February 1st 2023: We are happy to welcome Sahar Andarzi Gargari as a PhD student in our group and wish her the best for her research and new life in France!

September 1st 2022: Delighted to announce that as of today I am part of the permanent staff of the PHENIX laboratory, Sorbonne Université/CNRS, Paris.

August 1st 2022: ** HIRING!** We are receiving applications to work on the MAGNIFY project until August 10th.

July 2022: ** HIRING! ** Please check out the Job Opportunities tab to find out more about the MAGNIFY project, funded by the European Research Council

June 30th 2022: Proud to announce the release of our pre-print on modelling MOFs self-assembly, a joint work with Salvador R. G. Balestra.

Check it out: https://arxiv.org/abs/2206.14765