|CCL 18.08.19 Computational Photocatalysis, ACS COMP Symposium, Boston|
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To: chemistry-request at ccl.net
Date: Mon Mar 26 01:07:28 2018
Subject: 18.08.19 Computational Photocatalysis, ACS COMP Symposium, Boston
256th ACS National Meeting & Exposition Nanoscience, Nanotechnology & Beyond August 19-23, 2018 | Boston, MA ACS COMP Symposium Computational Photocatalysis: Modeling of Photophysics & Photochemistry at Interfaces Please refer to conference poster for additional details. The study of photochemical reactions in general and photoelectrochemical water splitting in particular, rests on understanding of such elementary effects as light absorption, energy transfer, electron transfer, radiative and nonradiative relaxation, and catalysis is important for the rational design of efficient system for energy conversion. The design of most efficient catalysts is pursued by change of composition, quantum confinement, size, shape, surface functionalization, magnetic doping, and mesoscale structural arrangement providing versatile tuning of timescales of available basic mechanisms and properties of materials. This symposium presents recent experimental and computational synergistic advances on modeling of photophysics and photochemistry at interfaces: Experimental achievements stimulate further development of more precise theoretical methods. Computational modeling allows for interpretation of available experimental trends and help in guiding further advances in design of efficient photocatalytic materials It is expected that the symposium will bring better understanding of photoinduced processes of light absorption, formation and breaking of charge transfer excitations, hot carrier relaxation, and redox reaction dynamics at catalytic sites â affected by lattice vibrations and solvent polarization. Novel Materials for Photocatalysis Reactions of reactants adsorbed to catalytic sites Photoexcitation role in Reaction Pathway Quantum nature of reactions: proton coupled electron transfer Charge transfer at interfaces Electronic relaxation: density matrix vs. surface hopping Abstract Submission: https://callforpapers.acs.org/boston2018/COMP Proceedings published as ACS Book International Advisory Committee David Micha(U of Florida) Annabella Selloni (Princeton) Walter Thiel (MPIKF) Michael Graetzel (EPFL Lausanne) Invited Speakers (confirmed) George Schatz (NW) Annabella Selloni(Princeton), Alan Aspuru-Guzik(Harvard) Sergei Tretiak (LANL) Evert Jan Meijer (U. Amsterd.) Angela Wilson (MSU) Mark Gordon (U Iowa), Michael Dupuis (Buffalo) Filippo De Angelis(Perugia), David Micha(U of Florida) Maksim Kovalenko (ETHZ) Benjamine Levine (MSU) Sharon Hammes-Schiffer (Yale) Thomas Frauenheim (U. Bremen) Xiaosong Li (U. Washington) ) Giullia Galli (U.Chicago) Erik Hobbie (NDSU) Mary Berry (USD) Martin Head-Gordon(Berkeley) Victor Klimov (LANL) Horia Metiu (UCSB) Karl Irikura (NIST) Erik Hobbie (NDSU) Oleg Prezhdo (USC) Hans Lishka (TTU) Mario Barbatti (AMU,Marseille) Organizers: Dmitri Kilin, Svetlana Kilina, Yulun HanNOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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