Characterizing Material Catalytic Abilities Using Chebyshev Polynomials and Radial & Angular Distribution Functions

Faculty Mentor Information

Dr. Oliviero Andreussi (Mentor), Boise State University

Presentation Date

7-2024

Abstract

The discovery of new material catalysts are crucial for harnessing the energy of water via storing H2 and O2. This research focuses on developing accelerated methodologies to evaluate the ability of new materials to carry out the catalytic reactions of water.

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Characterizing Material Catalytic Abilities Using Chebyshev Polynomials and Radial & Angular Distribution Functions

The discovery of new material catalysts are crucial for harnessing the energy of water via storing H2 and O2. This research focuses on developing accelerated methodologies to evaluate the ability of new materials to carry out the catalytic reactions of water.