JNCASR, Bengaluru

Fellow 2021, Physics


Inaugural Lectures by Fellows/Associates

In Silico Design of Novel Nanomaterials

With advances in computational methodologies as well as computer hardware, it is now possible to obtain accurate solutions to the quantum many body problem using the techniques of density functional theory. Such calculations are now often quicker and cheaper than carrying out actual laboratory experiments, and can be used to make realistic predictions, as well as to rapidly screen a large number of systems so as to identify the most promising materials for a desired technological application. The speaker will present a brief overview of the concepts behind this area of research, and present some examples of successful predictions made in her research group.