News
Brookhaven Lab: Turning Uncertainty into a Design Tool for AI-Engineered Molecules
6+ hour, 16+ min ago (400+ words) April 10, 2026 "While precision seems critical for science, researchers from the U. S. Department of Energy's (DOE) Brookhaven National Laboratory and Texas A&M University are embracing uncertainty, using it to fine-tune artificial intelligence (AI)-based molecular design models. The team's work showing…...
Cleveland Clinic and IBM Debut New Quantum Workflow for Simulating Proteins
2+ week, 4+ day ago (653+ words) The quantum-centric supercomputing method could pave the way to industry-relevant simulations of very large molecules for chemical, materials science, and medical research. "I'm sort of pinching myself that we were able to do it," said Dr. Kenneth Merz, Ph D,…...
LLNL, Meta Co-Develop Polymer-Chemistry Dataset for Training AI Models
1+ mon, 5+ day ago (402+ words) LLNL's partnership with Meta " described by LLNL materials scientist and OPoly26 co-principal investigator (PI) Evan Antoniuk as a "natural fit" " seeks to address this shortfall. By generating critical missing data on polymers with the shared goals of expanding and democratizing open…...
TACC: HPC Simulations Shed Light on Atomic Structure of Phosphate Glasses
1+ mon, 3+ week ago (702+ words) Feb. 17, 2026 "What happens inside a material that powers lasers, heals bodies, and locks away waste " when no one is looking? Phosphate-based glass materials find wide applications in high tech areas from biomedical devices and high power lasers to waste storage…...
From Prediction to Production: MIT's AI System Helps Synthesize New Materials
1+ mon, 3+ week ago (604+ words) AI systems are highly effective in predicting new material structures. We have previously covered this at Big Data Wire. However, what about actually creating the material in the lab? The synthesis process to create the materials is far more delicate…...
ORNL Applies Advanced Modeling to Improve Cellulose Nanofiber Manufacturing
2+ mon, 1+ week ago (675+ words) Jan. 29, 2026 "Researchers at the University of Maine and the U. S. Department of Energy's (DOE) Oak Ridge National Laboratory (ORNL) are collaborating on a new way to dry non-aggregated cellulose nanofiber " a material that could replace plastics in a wide range of…...
LLNL Uses AI-Driven Simulations to Predict Stable High-Energy Carbon Materials
2+ mon, 2+ week ago (496+ words) With computational models, researchers at Lawrence Livermore National Laboratory identified a pathway for a carbon monoxide and oxygen mixture to form a polymer that retains its stability even after it decompresses. Image credit: Stanimir Bonev. But locking those atomic arrangements…...
NIMS Introduces Flexible Data Platform for AI-Driven Materials Research in Japan
2+ mon, 2+ week ago (218+ words) RDE's unique approach allows researchers to freely define data structures tailored to their instruments, while enabling the system to perform massive data structuring and metadata extraction automatically," said Fujima. About Science and Technology of Advanced Materials: Methods Source: Asia Research…...
UChicago: Tiny Sensors Rapidly Detect 'Forever Chemicals' in Water
6+ mon, 2+ week ago (877+ words) Sept. 26, 2025 " They linger in our water, our blood, and the environment'forever chemicals that are notoriously difficult to detect. "Existing methods to measure levels of these contaminants can take weeks, and require state-of-the-art equipment and expertise, said Junhong Chen, Crown Family…...
How Scientists Are Teaching AI to Understand Materials Data
6+ mon, 2+ week ago (749+ words) The aim is to have something like a digital assistant in your lab," said Cole, who holds the Royal Academy of Engineering Research Professorship in Materials Physics at Cambridge, where she is Head of Molecular Engineering. A tool that complements…...