Chemical Theory and Modelling Group
PSL University - Chimie ParisTech
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Welcome
Research in our group focuses on the development and application of theoretical tools for the description of complex chemical phenomena. With electronic structure methods, we aim to aid in the design and understanding of functional molecules and materials for application in areas such as solar energy, light-emitting devices and biology. See our publication and research pages for more information.
Latest Publications
Upcoming seminars and talks
CTM Seminar
22/04/2022
Speaker: Gabrielly MIYAZAKI
Place: Teams
Time: 14:00
News and Welcoming
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Welcome to the group, Javier!
Javier received his B.Sc. in Chemistry from the University of Havana (Cuba) in 2022. He is currently a PhD student at ChimieParistech - PSL University. His research is focused on combining machine learning methods and density functional theory calculations to accelerate the exploration and analysis of chemical reactivity.
Congratulation for your defense, Bernadino!
March 4th at Chimie Paristech Bernardino got his Ph.D. degree. His work was focused on the development and application of low-cost computational protocols for predicting and studying spectral features and photo induced chemical transformations of dyes in solution. The thesis has been carried out under the supervision of Prof. Carlo Adamo, iCLeHS lab, CTM group.