Workshop Details
Computational Materials Chemistry (IN-PERSON PARTICIPANT)
06/27/2021 - 07/01/2021
Meeting Description:

Materials chemistry has been one of the fastest growing areas in chemistry in the past decade. This is driven by materials discovery for renewable energy, clean environment, and biomedical applications. Understanding structure-property relationships is fundamental to the chemistry of materials and key to realizing materials functions. Advances in theoretical understanding, algorithms, computational power, big data, artificial intelligence and machine learning are enabling computational tools to play an increasing role in materials discovery, development and optimization. For example, recently developed data mining techniques and machine learning approaches enable the virtual synthesis of novel materials, with their properties being predicted on a computer before ever being synthesized in a laboratory.

This workshop aims to bring together computational scientists working on focused topics of materials chemistry to exchange ideas and to stimulate discussion. The 2021 workshop will concentrate on machine learning in materials chemistry: from data to descriptors, predictions and insights; from materials informatics and high-throughput screening to virtual synthesis; from neural network potentials to exploration of potential-energy surface and structure prediction; from catalysis to energy storage. This workshop will provide a unique opportunity for the participants to broaden their view and deepen their understanding of machine learning and its broader impacts in materials and chemistry.


Participants should be aware that this workshop runs Sunday through Thursday. Discounted lodging rates end after Wednesday night. If your flight is on Friday out of Montrose, we recommend having dinner in Telluride on Thursday night and taking Telluride Express to Montrose after dinner. TSRC scientists are eligible for the corporate rate at the Hampton Inn (970-547-4120) next to the airport. The Holiday Inn Express is also a good option too although we do not have a discount with them.

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, 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.

De-en Jiang, Department of Chemistry, University of California, Riverside
Graeme Henkelman, Department of Chemistry, University of Texas at Austin
Richard Hennig, Department of Materials Science and Engineering, University of Florida, Gainesville
Jeffrey Greeley, School of Chemical Engineering, Purdue University

Meeting Venue:

Telluride Intermediate School
725 W Colorado Ave Telluride CO 81435

Computational Materials Chemistry (IN-PERSON PARTICIPANT) Registered Meeting Participants:
Participant Organization
Beran, Gregory University of California Riverside
Gomez-Gualdron, Diego A Colorado School of Mines
Goodpaster, Jason University of Minnesota Twin Cities
Henkelman, Graeme University of Texas at Austin
Hennig, Richard University of Florida
Jiang, De-en University of California Riverside
Kulik, Heather MIT
Schrier, Joshua Fordham University
Ulissi, Zachary Carnegie Mellon University

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