Multi-Scale Quantum Mechanical Analysis of Condensed Phase Systems: Methods and Applications
07/27/2020 - 07/31/2020
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.
The registration fee includes breakfast on each workshop day. There is also a catered picnic on Wednesday night.
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. 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, Ah Haa School for the Arts, and Pinhead Institute). There is more information on childcare, camps, and family activities on TSRC's website at https://www.telluridescience.org/travel/families. Please contact Cindy Fusting at firstname.lastname@example.org for more information.
Workshop Price: $ 390.00
Early Bird Lodging Discount Available Until: 01/15/2020
A $100.00 discount is applied to your lodging cost when you register before 01/15/2020.
All cancelled registrations are subject to a $100 Cancellation Fee. TSRC can only guarantee a refund for the balance of fees and lodging charges paid when a refund is requested prior to the Cancellation Deadline that is specific to each workshop, which in this case is 06/27/2020. TSRC always recommends that participants purchase travel insurance to protect against unforeseen, last-minute travel plan changes.