Simons Seminar: Kieron Burke

The Simons Center for Computational Physical Chemistry at NYU regularly hosts visiting scholars to discuss their work.  Join us on July 3 for a presentation by Kieron Burke of the University of California, Irvine: 

DFT with chemical accuracy?

Abstract:   DFT calculations are ubiquitous throughout science and engineering, with more than 50,000 papers reporting results each year.  But all practical DFT calculations are of moderate (but very useful) accuracy.   However, modern density functional approximations miss a vital ingredient that has recently been identified (part of the semiclassical asymptotic expansion of the energy),  whose restoration can produce functionals of chemical accuracy. I will demonstrate on orbital-free calculations with sub-milliHartree errors.

All Simons Center seminars are held in Waverly 540.  The seminar begins promptly at 2:00 PM EDT.  

Or join via Zoom:  https://nyu.zoom.us/j/99318701420?pwd=eGVvSzlKWFRlV0ZldnJJbjhYVUtEQT09