Exploration and computation of free energy surfaces of chemical reactions are pivotal to computationally predict reaction mechanisms, reaction pathways, and kinetics. Computing free energy surfaces of complex reactions, especially in soft matter system, requires advanced molecular dynamics (MD) simulation techniques. Although, tremendous progress has been made in the recent years in this direction, several limitations are yet to be addressed to make the computations efficient and more accurate.
Topic: Data and its discontents - Political economy of disinformation
Speaker: Paranjoy Guha Thakurta
Date: 20th March 2019, Wednesday
Venue: Auditorium, Ahalia Campus, IIT Palakkad