Understanding the properties of different materials is an important step in material design. X-ray absorption spectroscopy ...

Scientists at St. Jude Children's Research Hospital have created a database that provides updated predicted structures on a ...

Purdue faculty dedicate countless hours to exploring the frontiers of their respective fields, pushing the boundaries of knowledge and contributing to the ever-evolving landscape of academia. To ...

The design of chiral photonic structures using two machine learning methods for rapid optimization of optical properties for dielectric metasurfaces. June 8th, 2022 - By: Fraunhofer IIS/EAS Chiral ...

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However, the lack of a ...

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...

Virtual screening methods fall broadly into two categories: ligand- and structure-based. Ligand-based virtual screening doesn’t require a target protein structure, Instead, it leverages known active ...

Managing a power grid is like trying to solve an enormous puzzle. Grid operators must ensure the proper amount of power is ...

Machine learning (ML) is transforming protein structure prediction. Algorithms can predict 3D structures from amino acid ...