Dreyfus-ACS Symposium, 2018

The Dreyfus Foundation sponsored a symposium on Theoretical and Computational Chemistry, the topic of the 2017 Dreyfus Prize, at the spring national meeting of the American Chemical Society in New Orleans on March 20, 2018. The distinguished speakers included Michele Parrinello, the winner of the 2017 Dreyfus Prize. The symposium was sponsored by the American Chemical Society Multidisciplinary Program Planning Group and co-sponsored by the Physical Chemistry and Computers in Chemistry divisions.

Introduction, Jerald Schnoor, University of Iowa

Session 1. Chair: Daniel Nocera, Harvard University

Emily Carter, Princeton University: Insights from Ab Initio Potential Energy Surfaces and Molecular Dynamics for Sustainable Energy Technologies

Glenn Fredrickson, University of California, Santa Barbara: Field-Theoretic Simulations: From Advanced Materials to Quantum Liquids

Session 2. Chair: Richard Zare, Stanford University

Kendall Houk, University of California, Los Angeles: Dynamics and Mechanisms of Pericyclic Reactions

Mark Ratner, Northwestern University: Metals, Molecules, Mixing, and Mastery

Session 3. Chair: Louis Brus, Columbia University

Wolfgang Domcke, Technical University of Munich: How to Burn Water with Sunlight? Insights from Computational Chemistry

Sharon Hammes-Schiffer, Yale University: Proton-coupled Electron Transfer in Catalysis and Energy Conversion

Session 4. Chair: Matthew Tirrell, The University of Chicago

Roberto Car, Princeton University: Variational Sampling and Renormalization Theory

Michele Parrinello, Università della Svizzera italiana & ETH Zurich: Fluctuations, Entropy, and Rare Events