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
Predictive Simulations of Phase Transitions in Dynamically-Compressed Materials
Current PI: Ivan Oleynik, University of South Florida
Allocation Source:
Allocation Hours: 0
Materials
Photophysics of Excitons in Low Dimensional Organic-Inorganic Semiconductors
Current PI: Marina Filip, University of Oxford
Allocation Source:
Allocation Hours: 0
Materials
A Multiscale Surrogate Model for Fracture Evolution Using DeepONet
Current PI: George Karniadakis, Brown University
Allocation Source:
Allocation Hours: 0
Materials
DFT-FE First-principles Calculations Of Dislocation Core Energetics In Dilute Mg Alloys
Current PI: Vikram Gavini, University of Michigan
Allocation Source:
Allocation Hours: 0
Materials
Exascale Simulation of Topological Materials Dynamics
Current PI: Prineha Narang, University of California - Los Angeles
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
Predictive Simulations of Functional Materials
Current PI: Paul Kent, Oak Ridge National Laboratory (ORNL)
Allocation Source: DOE INCITE PROGRAM
Allocation Hours: 1,000,000
Materials
Understanding Colloidal Crystallization Pathways and Processes
Current PI: Sharon Glotzer, University of Michigan
Allocation Source: DOE INCITE PROGRAM
Allocation Hours: 730,000
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: 250,000
