C&EN

Machine learning helps density functional theory model molecules accurately

Trained on quantum data, a new model makes computations more accurate while keeping computer costs low ...
Opinion
Chemistry WorldOpinion

How Meta’s machine learning could help democratise chemistry

Reiher was referring to work published earlier this year by Meta, the owner of Facebook and Instagram. Meta released its open molecule dataset or OMol25 – the largest ever dataset of quantum chemistry ...
Kaleido Scope

On Improving Density Functional Theory Predictions for Rare-Earth Materials

INTRODUCTION: Density functional theory (DFT) is a widely used method for calculating the electronic properties of materials. The method is based on the idea of approximating the many-electron wave ...
Techno-Science.net on MSN

⚡ A new method to predict high-temperature superconductors

Electricity flows through our cables, but some energy is lost as heat. These losses could be avoided thanks to superconductors: materials capable of carrying current without ...

IISc researchers use machine learning and amorphous materials to build high energy density batteries

The Indian Institute of Science (IISc) researchers, in a new study using a machine learning model and amorphous materials, ...
Science Daily

Lottery luck in the light of physics: Researchers present theory on the dynamics of many-particle systems

Power functional theory is a new approach that makes it possible to describe precisely the dynamics of many-particle systems over time. Physicists at the University of Bayreuth are among the ...