Phys.org

MAGUS: Crystal structure predictions assisted by machine learning and graph theory

Crystal structures have a decisive impact on the properties of materials, and research on crystal structures often serves as a starting point for material studies. Crystal structure prediction is a ...
EurekAlert!

A machine learning-enabled single-round nucleic acid aptamer analysis method directly reveals the shared secondary structure of its interaction with the target

Figure 1. Flowchart of the working principle of machine learning based on single-round nucleic acid aptamer screening sequences, including: deep learning of core sequences, machine learning analysis ...
Michigan Technological University

Researchers Apply Machine Learning and AI in Search of Less Costly Electronic Structure Method

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 ...
Phys.org

Machine learning workflow enables faster, more reliable organic crystal structure prediction

Machine learning workflow enables faster, more reliable organic crystal structure prediction by Waseda University edited by Sadie Harley, reviewed by Robert Egan Editors' notes The GIST ...