Dreyfus Symposium on Theoretical & Computational Chemistry, March 20, 2018

The Dreyfus Foundation is proud to sponsor 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 Tuesday, March 20, 2018. The distinguished speakers include Michele Parrinello, the winner of the 2017 Dreyfus Prize. The symposium is sponsored by the American Chemical Society Multidisciplinary Program Planning Group and co-sponsored by the Physical Chemistry and Computers in Chemistry divisions.

Session 1. Chair: Daniel Nocera

9:15am: Emily Carter, Princeton University, Insights from Ab Initio Potential Energy Surfaces and Molecular Dynamics for Sustainable Energy Technologies

9:50am: Glenn Fredrickson, University of California, Santa Barbara, Field-Theoretic Simulations: From Advanced Materials to Quantum Liquids

Session 2. Chair: Richard Zare

10:40am: Kendall Houk, University of California, Los Angeles, Dynamics and Mechanisms of Pericyclic Reactions

11:15am: Mark Ratner, Northwestern University, Metals, Molecules, Mixing, and Mastery

Session 3. Chair: Louis Brus

2:00pm: Wolfgang Domcke, Technical University of Munich, How to Burn Water with Sunlight? Insights from Computational Chemistry

2:35pm: Sharon Hammes-Schiffer, University of Illinois at Urbana-Champaign, Proton-coupled Electron Transfer in Catalysis and Energy Conversion

Session 4. Chair: Matthew Tirrell

3:25 pm: Roberto Car, Princeton University, Variational Sampling and Renormalization Theory

4:00 pm: Michele Parrinello, Università della Svizzera italiana & ETH Zurich, Fluctuations, Entropy, and Rare Events

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