Workshop Details
Multi-Scale Quantum Mechanical Analysis of Condensed Phase Systems: Methods and Applications
07/23/2018 - 07/27/2018
Meeting Description:

Synopsis: Multi-scale quantum mechanical methods are instrumental to the analysis of condensed phase problems, especially those involve reactive events and/or electronically excited states. In addition to the well-established hybrid quantum mechanical/molecular mechanical (QM/MM) approaches, a number of emerging techniques based on quantum mechanical force fields (Xpol, mDC), linear-scaling quantum mechanical methods (FMO, GMBE), embedding approaches and the coupling between QM and coarse-grained (e.g., Discrete Molecular Dynamics) models also start to be applied to realistic condensed phase problems. To help maximize the impact of these novel developments on the chemical and biological communities, we plan to bring together leading developers and practitioners of these methods to identify the bottlenecks/challenges that limit the applicability of existing methods to large-scale condensed phase problems as well as appropriate benchmarks for novel multi-scale QM methods. We also hope the workshop will foster collaborations that help tackle these challenges and lead to the next generation of multi-scale QM methods that are generally applicable to a broad range of chemical, materials and biological problems.

We believe the scope of this workshop is complementary to several other related workshops that focus on: (i). Intermolecular interactions (Ken Jordan et al.) - which largely focuses on the development of potential energy functions (force fields) for non-reactive processes; (ii). Electronic Structure Methods (Garnet Chan et al.) - which focuses on highly correlated methods.

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.

Supporting Files:

Telluride_2018_schedule_v2.pdf
Meeting Venue:

Telluride Intermediate School
725 West Colorado Ave Telluride CO, 81435

Registered Meeting Participants:
Participant Organization Arrival Information Departure Information Interested in Sharing Transportation?
Aradi, Balint University of Bremen 7/22
7/28
Řezáč, Jan Institute of Organic Chemistry and Biochemistry 7/22
7/27
Beran, Gregory University of California Riverside 7/22
7/27
Cui, Qiang Boston University 7/22
7/31
Elstner, Marcus KIT 7/22
7/31
Goldman, Nir LLNL 7/22
7/28
Gross, Lynn BCCMS / University of Bremen
Gruden, Maja University of Belgrade-Faculty of Chemistry
Herbert, John Ohio State University 7/22
7/28
Y
Hourahine, Ben The University of Strathclyde 7/22
7/28
Y
Humeniuk, Alexander Würzburg University 7/22
7/28
Y
Kulik, Heather Massachusetts Institute of Technology 7/22
7/27
Lee, Seung Mi Korea Research Institute of Standards and Science 7/22
7/27
Y
Li, Guohui Laboratory of Molecular Modeling and Design, Stat 7/24
7/28
Nam, Kwangho University of Texas Arlington 7/22
7/28
Nebgen, Ben Los Alamos National Laboratory 7/22
7/27
Negre, Christian Los Alamos National Laboratory 7/23
7/27
Y
Niehaus, Thomas Université Claude Bernard Lyon 1 7/22
7/28
Y
Niklasson, Anders Theoretical Division, Los Alamos National Laborato 7/22
7/28
Ono, Junichi Waseda University 7/22
7/28
Rüger, Robert Software for Chemistry & Materials BV 7/22
7/28
Shuai, Zhigang Tsinghua University 7/22
7/27
Y
Simmonett, Andrew National Institutes of Health 7/22
7/27
Y
Slipchenko, Lyudmila [4th Reservation] Purdue University 7/8
7/13
Y
Thomas, Frauenheim University of Bremen 7/22
7/28
Tretiak, Sergei Los Alamos National Laboratory 7/22
7/27
Wang, Lu Rutgers University 7/22
7/27
Wesolowski, Tomasz University of Geneva 7/16
7/27
Woodcock, H. Lee University of South Florida 7/22
7/27
Y
Yam, Chi Yung Beijing Computational Science Research Center 7/22
7/27
Y
York, Darrin Rutgers, the State University of NJ 7/22
7/31

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