Trained on quantum data, a new model makes computations more accurate while keeping computer costs low ...
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Building better batteries with amorphous materials and machine learning
Lithium-ion batteries power most electronics, but they have limited energy density—they can store only a certain amount of ...
In a study appearing in Physical Chemistry Chemical Physics, researchers used quantum-chemical molecular dynamics simulations ...
Scientists use quantum many-body data and machine learning to boost density functional theory accuracy for chemistry and ...
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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, ...
A generative AI framework predicts stable antiferromagnets, identifying semiconductors and metals with properties suited for ...
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 ...
Scientists reveal for the first time the atomic structure of liquid carbon, key to exoplanets and nuclear fusion.
Due to its high electron mobilities at ambient temperature and peculiar electronic behaviors like the quantum hall effect, which imitates massless transportation and results in high superconductivity, ...
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