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

Fermi surface of plutonium: Fundamental insight into electronic correlation

Current PI: Gabriel Kotliar, Rutgers, the State University of New Jersey
Allocation Source:
Allocation Hours: 0

Materials

Predictive Simulations of Phase Transitions in Dynamically-Compressed Materials

Current PI: Ivan Oleynik, University of South Florida
Allocation Source:
Allocation Hours: 0

Materials

Exascale Simulation of Topological Materials Dynamics

Current PI: Prineha Narang, Harvard University
Allocation Source:
Allocation Hours: 0

Materials

Metastability in Driven Dynamical Systems for Next-Gen Microelectronics Applications

Current PI: Panchapakesan Ganesh, Oak Ridge National Laboratory (ORNL)
Allocation Source:
Allocation Hours: 0

Materials

QMC-HAMM: From The Nanoscale To The Mesoscale

Current PI: Lucas Wagner, Oak Ridge National Laboratory (ORNL), University of Illinois at Urbana-Champaign
Allocation Source:
Allocation Hours: 0

Materials

Novel Methods for Complex Excited-State Phenomena in Functional Materials

Current PI: Jack Deslippe, Lawrence Berkeley National Laboratory
Allocation Source:
Allocation Hours: 0

Materials

Predictive Simulations of Functional Materials

Current PI: Paul Kent, Oak Ridge National Laboratory (ORNL)
Allocation Source: DOE INCITE PROGRAM
Allocation Hours: 5,000

Materials

Large Scale Numerical Simulations of Polymer Nanocomposites

Current PI: Gary Grest, Sandia National Laboratories
Allocation Source: DOE ALCC PROGRAM
Allocation Hours: 2,500

Materials

First Principle Heat Generation Simulations of On-die Interconnects

Current PI: Lin-Wang Wang, Lawrence Berkeley National Laboratory
Allocation Source: OLCF DIRECTOR'S DISCRETIONARY PROGRAM
Allocation Hours: 2,500

Materials

Nucleation and Growth of Colloidal Crystals

Current PI: Joshua Anderson, University of Michigan
Allocation Source: DOE INCITE PROGRAM
Allocation Hours: 500,000

Materials

Disorder and Statistical Mechanics of Alloys and Functional Materials

Current PI: Markus Eisenbach, Oak Ridge National Laboratory (ORNL)
Allocation Source: DOE INCITE PROGRAM
Allocation Hours: 200,000