Prabal K Maiti
IISc, Bengaluru
Prabal K Maiti is a Professor in the Department of Physics, IISc, Bengaluru. He received his PhD in Physics from IIT Kanpur, followed by postdoctoral stays at MPIP-Mainz, the University of Colorado at Boulder, and Caltech, USA. He primarily works in the area of multiscale modelling of soft and bio-materials. Areas of current research interest include structure and dynamics of dendrimers, DNA-based nanotechnology, DNA-dendrimer complexation, and properties of water under strong confinement. He was elected a Fellow of the Indian Academy of Sciences in 2018.
Session
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Structure, dynamics and thermodynamics of confined water
Water is the essence of life and various properties of water molecules have intrigued researchers from time immemorial. The speaker studies various translational and orientational dynamics of water molecules confined inside a carbon nanotube using atomistic molecular dynamics simulation and tries to understand the thermodynamics of water entering inside a hydrophobic nanotube by calculating the Helmholtz free energy of water using two-phase thermodynamic method. Based on these studies, the speaker has proposed a mechanism of water permeation in helium impermeable graphene oxide (GO) membrane using the calculation of potential of mean force (PMF). PMF calculations of the oxidized part of the GO sheets in helium and oxidized part of the GO in water will be discussed highlighting the difference in their permeation path.