Research into the nature of materials promises to revolutionize many areas of modern life, from power generation and transmission to transportation to the production of faster, smaller, more versatile computers and storage devices. Materials science is an interdisciplinary field that incorporates chemistry, physics, and engineering both to provide a deeper understanding of existing materials and to allow for the design of new materials with predetermined properties. Computational scientists are using the supercomputers at the Oak Ridge Leadership Computing Facility to study the nature of materials at the smallest possible scale.

Current Active Materials Projects

Materials

First principle simulations of on-die interconnects and their heat generations

Current PI: Lin-Wang Wang, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory
Allocation Source: INCITE
Allocation Hours: 27,000,000

Materials

Large scale and efficient ultraviolet light emitting diode design with NEMO5

Current PI: Gerhard Klimeck,
Allocation Source: INCITE
Allocation Hours: 26,000,000

Materials

Nucleation and Growth of Colloidal Crystals

Current PI: Sharon Glotzer, University of Michigan
Allocation Source: INCITE
Allocation Hours: 100,000,000

Materials

First principles investigation of solid state phase transitions

Current PI: Markus Eisenbach, Oak Ridge National Laboratory (ORNL)
Allocation Source: INCITE
Allocation Hours: 95,000,000

Materials

Predictive Simulations of Functional Materials

Current PI: Paul Kent, Oak Ridge National Laboratory (ORNL)
Allocation Source: INCITE
Allocation Hours: 40,000,000

Materials

Petascale simulations of short pulse laser interaction with metals

Current PI: Leonid Zhigilei, University of Virginia
Allocation Source: INCITE
Allocation Hours: 20,000,000