A research team led by Chang Keke from the Ningbo Institute of Materials Technology and Engineering (NIMTE), Chinese Academy ...
Identifying optimal catalyst materials for specific reactions is crucial to advance energy storage technologies and sustainable chemical processes. To screen catalysts, scientists must understand ...
A new technique enables huge machine-learning models to efficiently generate more accurate quantifications of their uncertainty about certain predictions. This could help practitioners determine ...
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 ...
When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...
A study in Nature Communications by Michele Ceriotti’s group at EPFL has introduced a new dataset and model that greatly improve the efficiency of machine-learning interatomic potentials (MLIPs) and ...
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