Workshop Details
Computational Materials Chemistry
07/17/2023 - 07/21/2023
Meeting Description:

Solving our society's issues in energy, water, environment, and health necessitates discovery of new materials and chemistry. Establishing structure-property relationships is key to realizing materials' functions for renewable energy, clean water and environment, and biomedical applications. Advances in theoretical understanding, algorithms, computational power, big data, artificial intelligence and machine learning are propelling computational tools to an increasing role in materials design, discovery, development, and optimization. One important goal is to achieve predictive modeling of materials synthesis, property, function, evolution, and lifecycle.

This workshop aims to bring together computational scientists working on focused topics of materials chemistry to exchange ideas and to stimulate discussion. The 2023 workshop will concentrate on predictive modeling of reactions in condensed phases that underlie materials synthesis, property, function, and evolution. Topics include, but are not limited to, solvation effects and models, sampling and free-energy simulations, catalysis in liquid phases, and interfacial phenomena. This workshop will provide a unique opportunity for the participants to broaden their view and deepen their understanding of important issues, challenges, and recent progress toward predictive modeling of chemistry of materials.


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.

Telluride Science 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 Telluride Science's website. Feel free to contact Telluride Science's staff to help with any planning and/or coordinating care.

Meeting Venue:

Telluride Intermediate School
721 W Colorado Ave Telluride CO 81435

Computational Materials Chemistry Registered Meeting Participants:
Participant Organization
Árnadóttir, Líney Oregon State University
Beran, Gregory University of California Riverside
Cho, Jaeyoung University of Texas at Austin
Hammer, Bjørk Aarhus University
Henkelman, Graeme University of Texas at Austin
Janik, Michael Pennsylvania State University
Jiang, De-en Vanderbilt University
Keith, John University of Pittsburgh
Kim, Seonah Colorado State University
Liu, Yuanyue University of Texas at Austin
Neugebauer, Joerg Max-Planck-Institut fuer Eisenforschung
Qi, Yue Brown University
Reuter, Karsten Fritz-Haber-Institut der MPG
Schneider, William F University of Notre Dame
Sun, Yujie University of Cincinnati
Sundararaman, Ravishankar Rensselaer Polytechnic Institute
Todorova, Mira MPI fuer Eisenforschung
Ulissi, Zachary Meta Fundamental AI Research
Wang, Bin University of Oklahoma
Wang, Wennie University of Texas at Austin
Wippermann, Stefan Marburg University
Yang, Zhongyue Vanderbilt University
Zimmerman, Paul University of Michigan

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