Diffusion-Entropy Relationship in Chemistry and Biology: A Molecular Perspective

Center for Computational Science Lecture Speaker: Biman Bagchi, Honorary Professor, Solid State and Structural Chemistry Unit, Indian Institute of Science Abstract: Relationship between entropy and relaxation has been a subject of inquiry since the time of Boltzmann who introduced his famous H-Theorem in 1872 and remarked on its relation with entropy. This relationship has been further established through Adam-Gibbs relation and later Rosenfeld scaling. We shall discuss the elegant derivation of Adam-Gibbs by Random First Order Theory (RFOT). Subsequently, we shall discuss a derivation of the diffusion-entropy scaling in a two-dimensional periodic lattice, using the multidimensional rate theory. We shall discuss a two-dimensional periodic system that displays interesting coherences in trajectories, leading to a non-monotonic friction dependence of diffusion. We discuss a simple random walk model that surprisingly could capture the non-monotonicity of diffusion (partly) and the behaviour at large friction (quantitatively). We shall also discuss, if time permits, a few biophysical problems that we are studying in our group. Zoom information:https://bostonu.zoom.us/j/98496478574?pwd=aEdpdWZCL2Z2cHRQVDgwMXU4ZzVqUT09 Meeting ID: 984 9647 8574 Passcode: 590249