Team Leader
Prof. Mario Barbatti
Mario Barbatti is a professor at the Institut de Chimie Radicalaire of the Aix Marseille University and a senior member of the Institut Universitaire de France. He is a specialist in simulations of nonadiabatic phenomena in molecules. He is also the main developer of the Newton-X program.
Mario Barbatti has been awarded an ERC Advanced Grant in 2019 to develop the SubNano project.
IT Research Engineer
Dr. Baptiste Demoulin
Baptiste Demoulin has been an Information Technology Engineer in the group of Mario Barbatti at the Aix-Marseille University since October 2019. He obtained his Ph.D. in 2017 from the University of Lyon. His research interests focus on the simulation of excited states of molecules in a complex environment, and method development and optimization.
In SubNano, Baptiste is responsible for optimizing Newton-X and implementing new data management protocols.
Postdoc Researchers
Dr. Saikat Mukherjee
Saikat Mukherjee has been a postdoctoral research scholar in the group of Prof. Mario Barbatti at the Aix-Marseille University, since October 2019. His research focuses on the theoretical development of the nonadiabatic dynamics methodology to simulate the relaxation pathways of the photo-excited molecule via internal conversion as well as intersystem crossing processes.
In SubNano, Saikat is responsible for developing methods to improve the reliability of dynamics simulations.
Dr. Max Pinheiro Jr
Max Pinheiro Jr is a theoretical physicist with a Ph.D. from the University of São Paulo, Brazil in 2014, and a recent specialization degree in Data Science. Currently, Max is a postdoc researcher at the Institut de Chimie Radicalaire of the Aix Marseille University, France. His research interest lies in modeling photodynamic processes in organic semiconductors and in optimizing the efficiency of dynamics simulations.
In SubNano, Max is developing machine learning algorithms to optimize and analyze dynamics simulations.
Dr. Moumita Kar
Moumita Kar is currently a postdoctoral research fellow in the group of Prof. Mario Barbatti at the Aix-Marseille University, France since November 2021. She obtained her Ph.D. from Visva-Bharati, India in the year 2021. Her graduate research was focused on understanding the electronic structure of nanomaterials to be shown their applications in photovoltaics.
In Subnano, she is presently studying the non-adiabatic dynamics of organic molecules.
Dr. Josene Toldo
Josene M. Toldo obtained her Ph.D. in Chemistry in 2017 from the Federal University of Rio Grande do Sul, Brazil. She has been working as a postdoctoral researcher in the group of Prof. Mario Barbatti at the Aix-Marseille University (France) since September 2019. Her research interests are focused on modeling photoinduced processes in organic molecules in the gas phase and complex environments.
In SubNano, Josene investigates excitonic processes in nucleic acids and nonadiabatic dynamics of organic chromophores in different environments.
PhD candidate
Mr. Rafael S. Mattos
Rafael S. Mattos obtained his master’s degree in Chemistry in 2021 from the Federal University of Rio de Janeiro, Brazil. He is currently a Ph.D. candidate at the Institut de Chimie Radicalaire at Aix-Marseille University, France. His research interest is in excited states and non-adiabatic dynamics methods.
In SubNano he investigates the nuclear quantum effects on the dynamics with the development and implementation of corrections for the surface hopping method.
Former members
Dr. Ritam Mansour
Ritam Mansour was a Ph.D. student at the Institut de Chimie Radicalaire of Aix-Marseille University. In SubNano, Ritam investigated the nonadiabatic dynamics of organic chromophores, including nucleic acid fragments.
She defended her thesis on September 2022.
Dr. Prateek Goel
Prateek Goel was a postdoc at the Institut de Chimie Radicalaire of the Aix Marseille University, France, until Oct 2019. He obtained his Ph.D. from the University of Waterloo, Canada in 2017. He is interested in cheap and accurate methods for the simulation of nonadiabatic dynamics and computing reaction rate constants, mainly based on machine learning approaches.
In SubNano, Prateek was responsible for developing and implementing machine learning algorithms for dynamics.