Phys.org

Multimodal machine learning model increases accuracy of catalyst screening

Identifying optimal catalyst materials for specific reactions is crucial to advance energy storage technologies and sustainable chemical processes. To screen catalysts, scientists must understand ...
Phys.org

Machine learning improves accuracy of climate models—particularly for compound extreme events

Researchers have devised a new machine learning method to improve large-scale climate model projections and demonstrated that the new tool makes the models more accurate at both the global and ...
C&EN

Machine learning helps improve accuracy and efficiency of small-molecule calculations

When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...
EurekAlert!

New model makes machine learning potentials more accurate and more accessible

Machine learning is transforming many scientific fields, including computational materials science. For about two decades, scientists have been using it to make accurate yet inexpensive calculations ...
C&EN

Machine learning helps density functional theory model molecules accurately

A rotating cylinder with its side cut away to expose the core, showing patches of purple, blue, green, yellow, and orange that are dense in the middle and more diffuse toward the edges. This rotating ...