The Materials Genome Project: Accelerated and Large-Scale Materials Research through Computation
The Colloquium will take place in the new Energy Sciences Building, ESB 241, Conference Room D172.
Novel materials design has become a critical capability to address several urgent societal problems. The need for novel materials is the technological Achilles Heel of our strategy to address the energy and climate problem facing the world, and over-reliance on critical elements has inspired large efforts to develop accelerated materials design strategies. The Materials Genome Project (www.materialsproject.com), has as its objective to use high-throughput first principles computations on an unparalleled scale to provide basic materials property data on all known and many potential new inorganic compounds, thereby facilitating the search for new materials.
I will show successful examples of using high-throughput computations to discover, optimize, and understand new cathode materials and solid state conductors for Li-ion batteries. I will also show how large-scale calculations can be used to understand and predict particle size effects on the formation of stable or metastable phases in electrochemical processes.
About the Presenter:
Professor Ceder's group specializes in designing and understanding advanced materials by means of computational modeling and experimental research. By combining theoretical and experimental efforts in one group, the effectiveness of both is enhanced. First principles computations, whereby the properties of materials are predicted from basic physics, has become one of the most powerful tools in Materials Research and Design.
This group develops these tools and applies them to technologically relevant problems, often in collaboration with key industrial or government partners. Materials phenomena include: phase stability and cohesion in solids, diffusion, interaction of matter with radiation, and phase transformation
About the Series:
The Materials Science Special Colloquium Series is held the first Thursday of every month. It is intended to foster cross-discipline collaboration among Argonne scientists, engineers and researchers.