Location: Faculty Hall
Title : Multiscale modelling of soft and bio-materials
Prabal K Maiti
Center for Condensed Matter Theory, Department of Physics
Indian Institute of Science, Bangalore
Date and Time : Monday, 30th September 2019 at 4.00 pm
Prof. Anurag Kumar, Director, IISc will preside
Computer simulations are important scientific tools to understand the emergence of collective properties from chemical structures in complex molecular systems. Such simulations have helped us in improving our basic understanding of soft and biomaterials and provided us with calculation tools for the pre-synthesis design and screening of novel materials for various technologies. In this talk I will summarize our efforts in understanding the structure and dynamics, and the self-assembly and phase behavior in a number of different complex systems like: DNA, dendrimer, DNA-dendrimer complex, HIV protein and confined water. I will present results from our atomic-level simulations on the DNA and dendrimer systems. By using Molecular dynamics (MD) simulations we have been able to study and predict the structural properties of various DNA molecules, which are useful for nanoscale applications. Our atomistic simulations of dendrimer systems allow us to study in great detail various properties of such systems. We have also used MD techniques to study the complex dissociation pathway of the protein complex in the context of HIV infection and inhibition.
About the Speaker :
Prabal K. Maiti is Professor and currently the Chair in the Department of Physics, Indian Institute of Science, Bangalore. He works in Multiscale Modelling of Soft and Bio-materials. His major research goal is to pursue theoretical and numerical modelling connecting molecular and macroscopic length scales to improve our basic understanding of various soft-matter and biological systems, both from a fundamental and an applied point of view. Areas of current research interest include structure and dynamics of hyperbranched and conjugated polymer, charge transport in molecular systems, DNA-based nanotechnology, and confined fluid and Prof Maiti received his M.Sc and Ph.D. degrees in Physics from IIT, Kanpur, India followed by postdoctoral stays at MPIPMainz, the University of Colorado at Boulder, and Caltech, USA. He is a Fellow of the Indian Academy of Sciences.
All are welcome
High tea: 5.00 pm