Workshop Details
Computational Materials Chemistry
06/23/2015 - 06/27/2015
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 and computational power are enabling computational tools to play an increasing role in materials discovery, development and optimization. For example, recently developed data mining techniques and genetic algorithms 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 2015 workshop will concentrate on structure prediction, virtual screening, and exploration of potential energy surface for materials, supplemented by several other forefront areas of materials chemistry research. This workshop will provide a unique opportunity for the participants to broaden their view of materials design and discovery and to learn from others’ computational approaches.


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 Elementary School
477 W Columbia Ave Telluride CO 81435

Computational Materials Chemistry Registered Meeting Participants:
Participant Organization
Beran, Gregory UC Riverside
Bligaard, Thomas SLAC National Accelerator Laboratory
Chan, Maria Argonne National Laboratory
Chen, Xingqiu Institute of Metal Research
Chen, Zhongfang University of Puerto Rico
Gabriel, Joshua University of Florida
Greeley, Jeffrey Purdue University
Henkelman, Graeme University of Texas at Austin
Hennig, Richard University of Florida
Jiang, De-en University of California, Riverside
Ma, Yanming Jilin University
Revard, Benjamin Cornell University
Siegel, Don University of Michigan
Ward, Logan Northwestern University
Wu, Qin Brookhaven National Lab
Xiao, Penghao University of Texas at Austin

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