"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 ...

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 ...

Monte Carlo Simulations of Au38(SCH3)24 Nanocluster Using Distance-Based Machine Learning Methods. The Journal of Physical Chemistry A , 2020; DOI: 10.1021/acs.jpca.0c01512 Cite This Page : ...

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 ...

This twisting protein structure is one of hundreds dreamed up by a machine-learning algorithm [Ian C. Haydon/UW Medicine Institute for Protein Design] Proteins spontaneously fold into intricate ...

Jul 01, 2024: Machine learning uncovers new semiconductors with unique square-octagonal structure (Nanowerk Spotlight) The pursuit of novel materials with extraordinary properties has been a driving ...

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 ...