"By leveraging machine learning-based approaches in the design workflow, we can accelerate the design process to truly leverage the design freedom afforded by lattice structures and take advantage ...

As a structural biologist, he is studying this process on the smallest scale: the trillions of atoms that must synchronize their work to make it happen. "I don't see a big difference ...

What is the actual structure of graphene oxide nanoflakes? This question is important for optimizing the properties of the carbon material in real-world applications, and researchers at CSIRO in ...

A machine learning approach could allow computers to determine the electronic structure of molecules without having to use the most resource-intensive equations of density functional theory, new ...

A deep-learning network trained to predict protein shapes can also generate proteins with new, stable structures.

Researchers have demonstrated that new distance-based machine learning methods are capable of predicting structures and atomic dynamics of nanoparticles reliably. The new methods are significantly ...

Scientists have successfully tested the use of machine learning models to guide the design of long-acting injectable drug formulations. The potential for machine learning algorithms to accelerate ...

Researchers use machine learning to predict 13 new Haeckelite compounds with promising optoelectronic properties, paving the way for advanced solar cells and electronic devices.