As an emerging technology in the field of artificial intelligence (AI), graph neural networks (GNNs) are deep learning models designed to process graph-structured data. Currently, GNNs are effective ...

As an emerging technology in the field of artificial intelligence (AI), graph neural networks (GNNs) are deep learning models ...

Raghab Singh’s research advances structure-first AI models for healthcare, combining molecular geometry and language ...

Scientists use AI to generate designs of potential new molecules, a process that is 10 times faster and more precise.

The Kennedy College of Science, Richard A. Miner School of Computer & Information Sciences, invites you to attend a doctoral dissertation proposal defense by Nidhi Vakil, titled: "Foundations for ...

Topological defects govern how many advanced materials behave, but predicting them has traditionally required slow, ...

For many decades, the method to obtain atomic-level descriptions of chemical compounds and materials—be it a drug, a catalyst ...

It uses a system called simplified molecular-input line-entry system (SMILES). This translates chemical 3D structures into ...

Engineers have long battled a problem that can cause loud, damaging oscillations inside gas turbines and aircraft engines: ...

Researchers from the labs of Professors Vinayak Dravid and Omar Farha developed a high-resolution approach to map ...

Tau protein aggregation is a shared feature in over 20 neurodegenerative diseases (collectively referred to as "tauopathies") ...