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 ...
SiliconANGLE

HeyDonto launches DFT Labs to pursue physics-based machine learning capabilities

Artificial intelligence startup HeyDonto AI Technology today announced that it has established DFT Labs, a research subsidiary dedicated to pursuing a physics-based framework for machine learning. The ...
C&EN

Machine learning solves a long-standing DFT problem

Knowing where the electrons are within a molecule can go a long way to explaining its structure, its properties, and its reactivity. Chemists use density functional theory (DFT) methods, ...