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Recent Advances in Electron and Proton Transfer Theories

  • The Science Center (Rm. 4102) at The Graduate Center, CUNY 365 5th Avenue New York, NY, 10016 United States (map)

Electron and/or proton transfer processes are ubiquitous, and play key roles in catalysis, energy conversion, biological respiration and signaling, to name a few. Clear mechanistic understanding and quantitative description of these processes require development of new concepts at fundamental level as well as accurate methods of quantum calculation in complex environments. This workshop brings experts offering cutting edge advances in these areas and new ideas for the next level of development.

9:00 AM Coffee and bagels

9:30 AM    Proton-coupled electron transfer in catalysis & energy conversion
Sharon Hammes-Schiffer, Yale University

11:00 AM  Quantum dynamical simulations of proton-coupled electron transfer reactions
Pengfei (Frank) Huo, University of Rochester

12:10 PM Lunch

1:30 PM   Electron transfer in respiratory complex 1
Alexei Stuchebrukhov, UC Davis

3:00 PM   Protein electron transfer: Noergodic sampling, FDT violation, and solvent dynamical effect
Dmitry Matyushov, Arizona State University

4:30 PM   Electron transfer signaling and multi-electron brokering in biology
David Beratan, Duke University

Sponsored by the Initiative for the Theoretical Sciences, and by the CUNY doctoral programs in Chemistry and Physics. Please email sjang@qc.cuny.edu with any questions. For more information please visit https://itsatcuny.org.

Download Printable PDF Schedule here.
Register here.
Download Full Series PDF here.