The Simons Center for Computational Physical Chemistry at NYU regularly hosts visiting scholars to discuss their work.  Join us on May 3 for a presentation by Guillaume Stirnemann of CNRS, Laboratoire de Biochimie Théorique, Institut de Biologie Physico-Chimique, Paris, France: Beyond the structural picture: key role of conformational changes for biological function and activity All Simons Center seminars...

Organizer: Zlatko Bačić zlatko.bacic@nyu.edu The Simons Center for Computational Physical Chemistry at NYU hosted a workshop June 12-14, 2023, on the topic of Nuclear Quantum Effects in computational chemistry.  This event,  held on the Washington Square Campus of NYU, features talks by an international array of leading researchers in the field.    Schedule of Events:...

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...