Foundation models are AI systems trained on vast amounts of data — often trillions of individual data points — and they are capable of learning new ways of modeling information and performing a range ...

Researchers in the Nanoscience Center at the University of Jyväskylä, Finland, have developed a pioneering computational ...

This diagram illustrates how the team reduces quantum circuit complexity in machine learning using three encoding methods—variational, genetic, and matrix product state algorithms. All methods ...

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 ...

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