Project Grant 2443961

Award Date 4/1/25
Completion Date 3/31/30
Dollars Obligated $152K
Federal Grant Program
47.049
Assistance Type
Project Grant
Place of Performance
Boulder, CO 80309, USA
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The objectives are to:

  1. Develop scalable dynamical theories that can employ ab initio energies and forces to probe polaron behavior in promising photocatalysts like Fe2O3 and TiO2 over experimentally relevant timescales.
  2. Reveal methods to control polaron formation and transport through chemical changes to the underlying materials.
  3. Provide open-source software to enable researchers in chemistry, materials science, and condensed matter physics to apply the new theoretical frameworks.
  4. Create portable, easily deployable college-level teaching tools that integrate theory, experiment, and computation to develop students' skills and reduce math anxiety.

The project aims to advance renewable energy, photocatalysis, and quantum materials research through improved understanding and control of light-induced currents and reactivity. The award commenced on April 1, 2025 and is scheduled for completion on March 31, 2030.

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