Workshop Details
Multi-Scale Quantum Mechanical Analysis of Condensed Phase Systems: Methods and Applications (In-person Participation)
07/12/2022 - 07/16/2022
Meeting Description:

This is a recurring workshop devoted to multi-scale atomistic simulation methods for condensed phase studies, with some emphasis on those involving (but not limited to) Density Functional Tight Binding and machine learning approaches. Multi-scale simulations can generally span a wide range of energies, from covalent and metallic bonding to dispersion interactions, and can involve reactive events and/or electronically excited states. To help maximize state-of-the-art developments, we plan to bring together leading developers and practitioners of these methods in order to identify current grand challenges for condensed phase problems as well as appropriate benchmarks for novel approaches. Our hope is that the workshop will foster collaborations that help tackle these challenges and lead to the next generation of multi-scale, QM-based methods that are applicable to a broad range of chemical, materials, and biological problems.


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.

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.

IMPORTANT: Participants should be aware that this workshop runs Tuesday through Saturday. Festival lodging rates will be in effect on the night of Sunday, July 10th. Discounted lodging rates start on Monday, July 11th. If you are planning to arrive on Sunday you can stay at the Hampton Inn (970-547-4120) next to the airport and come up to Telluride first thing on Monday. You will receive a discount at the Hampton Inn by saying you are a TSRC scientist.

Supporting Files:

Meeting Venue:

Telluride Intermediate School
725 W. Colorado Ave Telluride, CO 81435

Multi-Scale Quantum Mechanical Analysis of Condensed Phase Systems: Methods and Applications (In-person Participation) Registered Meeting Participants:
Participant Organization
Cheng, Jianli Lawrence Berkeley National Laboratory
Cui, Qiang Boston University
Fernandez-Serra, Marivi Stony Brook University
Galli, Giulia University of Chicago
Gigli, Lorenzo EPFL STI COSMO
Goldman, Nir LLNL
Grimme, Stefan University of Bonn
Hourahine, Ben The University of Strathclyde
Irle, Stephan Oak Ridge National Laboratory
Jung, Gang Seob Oak Ridge National Laboratory
Kowalczyk, Tim Western Washington University
Margraf, Johannes Fritz-Haber-Institute of the Max-Planck-Society
Niehaus, Thomas Université Claude Bernard Lyon 1
Niklasson, Anders Theoretical Division, Los Alamos National Laboratory
Pham, Huy Lawrence Livermore National Laboratory
Skylaris, Chris-Kriton University of Southampton
Xing, Xin UC Berkeley
Yaron, David Carnegie Mellon University
Yoo, Pilsun Oak Ridge National Lab
Zhang, Chao Uppsala University
Zhang, Yu Los Alamos National Laboratory

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