Abstract:
Density functional theory (DFT) and related approaches power most simulations of matter. I will talk about how fundamental theory is used to uncover new physics and how advanced simulations derived therefrom can be used to make surprising predictions of matter. I will focus on the physics of excited states, revealed through mathematical analysis of exact results and limits. I will also discuss (anomalous) van der Waals dispersion theory and how data-driven approaches can (and should not!) be harnessed to improve future predictions.
Biography:
Associate Professor Tim Gould is an interdisciplinary electronic structure theorist based in the Applied Mathematics and Physics Discipline and Queensland Micro- and Nano-technology Centre at Griffith University. He also holds an Australian Research Council Future Fellowship in chemistry. He did undergraduate studies in mathematics [BSc(Hons1) from University of Melbourne], a PhD in theoretical physics [PhD from Griffith University], and worked at the University of York (in condensed matter physics) and University of Lancaster (in mathematical modelling) before returning to Griffith.
Seminar Series by the NYU-ECNU Center for Computational Chemistry at NYU Shanghai
This event is open to the NYU Shanghai, NYU, ECNU community and the computational chemistry community.