Reminder TOMORROW: CMSP Seminar (Atomistic Simulation Seminar Series) 26 February, 11:00AM, by A.M. Saitta

[CMSP Seminars Secretariat]

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CMSP Seminar (Atomistic Simulation Seminar Series)
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*Wednesday, 26 February 2025, 11:00AM*
*/Luigi Stasi Seminar Room (Leonardo Building, 1st floor)/*/
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/Zoom: https://zoom.us/meeting/register/zjqTmsTFS0i2xy-DcLLemQ
<https://zoom.us/meeting/register/zjqTmsTFS0i2xy-DcLLemQ> /


*Speaker: * A. Marco Saitta (IMPMC - Sorbonne Université, CNRS, MNHN, 
Paris, France)

*Title: *Machine learning approaches in origins of life studies

In the study of the origins of life, the integration of ab initio 
calculations with machine learning is providing new insights. This 
research focuses on the formation of key biomolecules, such as glycine, 
a fundamental amino acid, and adenine, a nitrogenous base found in RNA 
and DNA. Using ab initio simulations and advanced sampling methods, we 
have identified a new pathway for glycine synthesis, the “oxyglycolate 
pathway,” which offers a simpler alternative to the conventional 
Strecker synthesis and may better account for the presence of glycine in 
meteorites. This result suggests that the molecular building blocks of 
life could have emerged through less complex chemical processes than 
previously assumed.

In parallel, our work on adenine synthesis has implications for 
astrobiology, particularly in connection with NASA’s upcoming Dragonfly 
mission to Titan. By combining ab initio simulations with machine 
learning techniques, we are investigating potential chemical pathways 
that may have led to adenine formation under prebiotic conditions, 
contributing to a better understanding of how essential biomolecules 
could have arisen on early Earth or in extraterrestrial environments 
such as Titan.

Machine learning methods play a central role in this research, 
facilitating the exploration of complex reaction networks and reducing 
computational costs, thereby enabling the identification of previously 
unrecognized pathways to fundamental biomolecules. These findings 
contribute to refining current theories on the chemical origins of life 
and offer a more efficient framework for future studies in prebiotic 
chemistry and astrobiology.

http://www.ictp.it/research/cmsp.aspx

The Abdus Salam International Centre for Theoretical Physics
https://www.ictp.it/

    
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