When
Abstract: Transition path sampling (TPS) is a bias-free method to study the mechanism and kinetics of rare transitions occurring in complex systems. In particular, it has been used to elucidate transition states, reaction coordinates, rate promoting vibrations, and kinetic parameters for chemical reactions catalyzed by enzymes. Here, the implementation and application of a scheme based on TPS for the calculation of free energies of enzyme-catalyzed reactions will be discussed.
Bio-sketch: Sree was born in Chennai, a city in the southernmost state called Tamil Nadu in India. He went to the Indian Institute of Science Education and Research at Trivandrum in 2009 for a BS-MS dual degree in chemistry where he worked with Dr. Swathi on modeling the encapsulation of noble gas atoms inside carbon nanotubes for his master's thesis. In 2014 he joined the Ph.D. program at UC Irvine and worked in Prof. Filipp Furche's group on the development and implementation of molecular properties within the random phase approximation.
LOCATION
Koffler Room 216
PRESENTER
Dr. Sree Ganesh Balasubramani Department of Chemistry and Biochemistry, The University of Arizona
Hosted byDr. Steven Schwartz