M06: Energy Materials Research Driven by Modelling and Simulation

Development of energy storage and conversion materials is regarded as an urgent subject for human being's sustainability and, therefore is receiving tremendous intensity of public interests. However, current progress of materials development for renewable energy resource to completely substitute for fossil fuel in daily life is not very satisfying the demands of our society. Since new energy materials discovery and processing optimization require huge amounts of time and costs, innovative breakthroughs has become a necessity. Recently, quite a good number of research groups combine computaer simulation and modeling methods with experimental energy materials research, to sensationally accelerate the materials discovery and developments. For accelerated discovery of new energy materials and advanced understanding, first-principles calculations, molecular dynamics, and finite element methods have been successfully used. Now, it seems to be a good time for researchers working on energy materials research using simulation methods to assemble to share their achievements.

This symposium is focused on:

• Theoretical methodology for energy materials research
• High-throughput screening of new energy materials
• Mechanism of energy conversion and storage in nanomaterials
• Experiments-computation interface