Reaction Network Discovery for Astrochemical and Prebiotic Processes
Dr. W. M. C. Sameera est senior lecturer à l'Université de Colombo. Il est actuellement Fellow-in-Residence à CYAS, invité par le laboratoire LIRA.
I employ ab initio quantum chemical methods to explore complex potential energy surfaces and reaction networks. While the mechanisms of simple two-component reactions can often be predicted using chemically biased approaches guided by intuition and prior knowledge, reactions involving three or more components require an unbiased exploration of competing reaction pathways. To address this challenge, I use the Multi-Component Artificial Force Induced Reaction (MC-AFIR) method to determine complex reaction mechanisms in an unbiased manner. In this talk, I will present applications in astrochemistry, where complex organic molecules have been widely detected in the interstellar medium and protoplanetary environments, yet their origins and evolution towards prebiotic species remain unresolved. Particular emphasis will be placed on radical-driven and emerging ion-driven (cationic and anionic) chemistry occurring on (or in) icy dust-grain surfaces under interstellar conditions. By comparing computationally predicted reaction mechanisms with available experimental observations, I demonstrate how quantum-chemical approaches can provide molecular-level insights into the formation and evolution of complex and potentially prebiotic molecules in space.
Date : 15 juin 2026 de 14h00 à 15h00
La guest lecture hybride est organisée en présentiel dans la salle de réunion H008 de la MIR à Neuville-sur-Oise et à distance sur Teams.