Chemistry
Researchers are using Oak Ridge Leadership Computing Facility supercomputers to study the electronic structure of molecules and surfaces, an effort that could lead to a more rational design of chemical catalysts. The research has multiple applications, from hydrogen production and storage to development of advanced materials.
High-Fidelity Simulations for Advanced Engine Combustion Research Principal Investigator: Joseph Oefelein, Sandia National Laboratories |
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Non-Perturbative QED Study for Matter and Anti-Matter Collisions Principal Investigator: Michael Pindzola, University of Auburn |
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Precision Many-Body Quantum Simulations of Functionalized Structures Principal Investigator: Shiwei Zhang, The College of William and Mary |