Accelerating catalytic advancements through the precision of high-throughput experiments & calculations

2026/01/01 by Jenny G. Vitillo, Alán Aspuru-Guzik, Eric Doskocil +8 · 1 voice
Chemical Engineering · Energy · Materials Science · #CO2 Reduction Techniques and Catalysts #Catalysis and Oxidation Reactions #Machine Learning in Materials Science

paper · pdf · doi:10.1039/d5dd00524h

openalex publication_date 2026/01/01 · openalex created_date 2026/01/29 · openalex updated_date 2026/06/18

Abstract

This Opinion article shows how integrated computational and experimental approaches accelerate catalyst development and highlights key challenges in data quality, model accuracy, and scalability across Technology Readiness Levels.

Citations

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• Commit: Mini article for dynamic reporting of incremental improvements to previous scholarly work
• Flow chemistry as a tool for high throughput experimentation

Discussions

• How do we unlock faster, more sustainable catalyst discovery? 👉This #openaccess article discuses high-throughput experimental and computational methods that are transforming catalysis, highlighting p [bsky, 1 points, 0 comments]

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