Workshop Details
Quantum Effects in Condensed-Phase Systems
07/24/2017 - 07/28/2017
Meeting Description:

Nuclear quantum effects such as zero-point energy conservation and tunnelling play an important role in many condensed-phase chemical systems. For example, zero-point energy differences are key to understanding the experimentally-observed differences in the thermodynamic properties of normal and heavy water, while both theoretical and experimental work has highlighted the role of quantum tunnelling in enzyme-catalyzed hydrogen transfer reactions. Furthermore, photochemical reactions, involving multiple potential energy surfaces, are implicitly quantum-mechanical in nature, while recent experimental work has begun to shed light on the role of quantum coherence in the efficient energy transfer processes observed in photosynthetic centers.

The challenge of understanding nuclear quantum effects in complex, many-particle systems has in recent years led to a growth in interest in the development of new theoretical tools aimed at providing an atomic-level view of quantum-chemical dynamics. New simulation methods, such as centroid molecular dynamics, ring-polymer molecular dynamics and the linearized semi-classical initial value representation provide computationally-efficient routes to calculating approximate quantum-dynamical properties in complex systems, while the development of methods such as ab initio multiple spawning have provided new insight into photochemical processes. These simulation approaches have in turn been applied to model quantum phenomena in a wide range of systems, ranging from proton transfer in aqueous environments to cis-trans photoisomerization of biological chromophores.

This principal aim of this workshop is to provide a snapshot of the current state-of-the-art in theoretical approaches for investigating nuclear quantum effects in complex, many-particle systems. This meeting will provide an open forum for researchers to discuss the development of new theoretical methods aimed at modelling time-dependent and time-independent properties in many-particle quantum-mechanical systems, as well as present recent applications of quantum simulation methods in modelling chemical processes such as hydrogen transfer and photochemical reactivity in condensed-phase environments.

Notes:

If you are interested in attending a meeting, but have not received an invitation, please contact the workshop organizer about availability before registering. Most TSRC meetings are very small, typically only about 25 people.

Meeting Venue:

Telluride Intermediate School
725 West Colorado Ave Telluride CO 81435

Quantum Effects in Condensed-Phase Systems Registered Meeting Participants:
Participant Organization
Althorpe, Stuart University of Cambridge
Ananth, Nandini Cornell University
Berkelbach, Timothy University of Chicago
Blumberger, Jochen University College London
Ceriotti, Michele EPFL
Chan, Garnet California Institute of Technology
Coker, David Boston University
Eaves, Joel University of Colorado
Garashchuk, Sophya University of South Carolina
Habershon, Scott University of Warwick
Hernandez de la Pena, Lisandro Kettering University
Limmer, David UC Berkeley
LIU, JIAN Peking University
Manolopoulos, David Oxford University
Markland, Thomas Stanford University
Martinez, Todd Stanford University
Meuwly, Markus Univ. Basel
Miller, William University of California, Berkeley
Reichman, David Columbia University
Richardson, Jeremy ETH Zurich
Rossky, Peter Rice University
Roy, Sharani University of Tennessee, Knoxville
Rubenstein, Brenda Brown University
Subotnik, Joseph University of Pennsylvania
Tew, David University of Bristol
Tuckerman, Mark New York University
Vanicek, Jiri Ecole Polytechnique Federale de Lausanne
Voorhis, Troy Van MIT
Wang, Lu Rutgers University
Willard, Adam MIT
Yuen-Zhou, Joel UC San Diego

Telluride Science Research Center
Post Office Box 2429, Telluride CO 81435
Tel: + 970.708.4426
Email: info@telluridescience.org
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