Workshop Details
Quantum Effects in Condensed-Phase Systems
07/29/2019 - 08/02/2019
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:

We wish to ensure an intimate workshop setting, with no more than 20 to 25 participants. If you are interested in attending, but have not received an invitation, please contact the workshop organizer before registering. If you have registered for a meeting you were not invited to, you may be subject to a $100 fee.

TSRC is about expanding the frontiers of science, exploring new ideas, and building collaborations. The workshop schedule will allow for substantial unstructured time for participants to talk and think. All participants are expected to stay for the entire duration of the workshop. Scientists are encouraged to consider bringing family or friends. Telluride offers a number of options for children's camps (including Telluride Academy, Aha School for the Arts, and Pinhead Institute). There is more information on childcare, camps, and family activities on TSRC's website. Feel free to contact TSRC's staff to help with any planning and/or coordinating care.

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
Ceriotti, Michele EPFL
Curchod, Basile Durham University
DISTASIO, ROBERT Cornell University
Habershon, Scott University of Warwick
Huo, Pengfei University of Rochester
Isborn, Christine University of California Merced
Limmer, David UC Berkeley
Manby, Fred University of Bristol
Manolopoulos, David Oxford University
Markland, Tom Stanford University
Marsalek, Ondrej Charles University, Faculty of Mathematics and Physics
Marsalek, Ondrej [2nd Reservation] Charles University, Faculty of Mathematics and Physics
Maurer, Reinhard University of Warwick
Montoya-Castillo, Andres Stanford University
Rabani, Eran Uc Berkeley
Reichman, David Columbia University
Remsing, Richard C Temple University
Richardson, Jeremy ETH Zurich
Shi, Liang University of California, Merced
Simine, Lena Rice University
Tuckerman, Mark New York University
Videla, Pablo Yale University
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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