Events in physical chemistry.

Developing Electronic Structure Methods for Solids

Abstract: Materials design in a variety of industries would be helped by the development of new ab initio quantum chemistry methods to model electron-electron interactions in solids. Progress in this area is challenging because of electron correlation and specialized techniques that show potential are coupled cluster theory and quantum Monte Carlo. I will discuss ways in which we are trying to address two barriers preventing the widespread adoption of these methods.


Subscribe to RSS - Physical Seminar