Workshop Details
VIRTUAL WORKSHOP - Multi-Scale Quantum Mechanical Analysis of Condensed Phase Systems: Methods and Applications
07/27/2020 - 07/31/2020
Meeting Description:

Synopsis: Multi-scale quantum mechanical methods are instrumental to the analysis of condensed phase studies, especially those with strong connections to experimental efforts. These research areas 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. A number of state-of-the-art techniques have emerged in recent years, including linear-scaling quantum mechanical approaches, machine learning approaches for creating density functional tight binding and quantum-based reactive force fields, and a wide variety of coarse-grained models for both soft and hard matter. To help maximize the impact of these novel developments in the physics, chemistry, and materials science communities, we plan to bring together leading developers and practitioners of these methods to identify the grand challenges facing in applying current 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 provides excellent synergy with the workshop entitled “Machine Learning and Informatics for Chemistry and Materials” (Olexandr Isvayev et al.) which is being held simultaneously.


STUDENT REGISTRATION ($50) via this link (need to write the name of the workshop in the workshop field):

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.

The Virtual Workshop fee of $200 also allows for complimentary access to the Virtual Live Lecture Series.

Meeting Venue:

Virtual Workshop

VIRTUAL WORKSHOP - Multi-Scale Quantum Mechanical Analysis of Condensed Phase Systems: Methods and Applications Registered Meeting Participants:
Participant Organization
Aradi, Balint University of Bremen
Clark, Aurora Washington State University
Donadio, Davide University of California Davis
Goldman, Nir LLNL
Hourahine, Ben The University of Strathclyde
Irle, Stephan Oak Ridge National Laboratory
Jung, Gang Seob Oak Ridge National Laboratory
Kowalczyk, Tim Western Washington University
Niklasson, Anders Theoretical Division, Los Alamos National Laboratory
Reed, Evan Stanford University
Shao, Yihan University of Oklahoma
Thompson, Aidan P Sandia National Laboratories
Yang, Qian University of Connecticut
Yaron, David Carnegie Mellon University
Zeng, Jinzhe Rutgers University

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