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 ...

Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

Through a novel combination of machine learning and atomic force microscopy, researchers in China have unveiled the molecular ...

Kenneth Merz, PhD, of Cleveland Clinic's Center for Computational Life Sciences, anda research team are testing quantum computing’s abilities in chemistry through integrating machine learning and ...

The world is awash with news about artificial intelligence tools, including those intended to help chemists. But are the tools useful, a threat, or even worth the attention? It’s hard to know, ...

The cover image of 10/2024 issue of Bioconjugate Chemistry, displaying a tunable ligand-protected gold nanocluster as a drug delivery system with high affinity to integrin αvβ3, a key regulator of ...

Two recent developments in artificial intelligence (AI) and machine learning have the potential to accelerate product development by streamlining materials research. Israel-based MaterialsZone, a ...

When NASA scientists opened the sample return canister from the OSIRIS-REx asteroid sample mission in late 2023, they found something astonishing. Dust and rock collected from the asteroid Bennu ...

The Texas Advanced Computing Center (TACC) is offering a week-long Machine Learning for Life Sciences Researchers in-person workshop. Designed for bio-related researchers and practitioners, this hands ...

Researchers have used machine learning and supercomputer simulations to investigate how tiny gold nanoparticles bind to blood proteins. The studies discovered that favorable nanoparticle-protein ...