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.
Organizers:
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
Telluride Elementary School
477 W Columbia Ave
Telluride CO 81435
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 | ||||