Machine learning predicts when exotic alloys stretch like glass
Researchers have compiled superplasticity data for nanostructured and ultrafine-grained high-entropy alloys and shown that machine learning models can predict which ...
Tag: computational materials science
Scandium-Doped Nanosheets Push Carbon Capture to New Limits
Computer simulations show that scandium doping and tensile strain can tune two-dimensional C12N8 nanosheets for record CO2 capture, revealing a ...
AI-Guided Recipe Tames the Chaos of High-Entropy Perovskite Solar Materials
Researchers have unveiled an Optimize-to-Optimize machine-learning workflow that uses rules distilled from 275 stable low-entropy chloride double perovskites to guide ...
Machine Learning Joins Forces With Quantum Physics to Accelerate Clean Energy Materials Discovery
A new review argues that integrating density functional theory with machine learning has matured into a powerful, experimentally validated engine ...
QEGuard Brings Guarded Precedent Reuse to Quantum ESPRESSO Simulation Records
A new open-source Python package called QEGuard applies explicit eligibility checks before allowing parameters from prior Quantum ESPRESSO simulations to ...
Potassium Nickel Hydride Emerges as a Room-Temperature Hydrogen Storage Contender
A new computational study shows that the complex hydride K2NiH6 can store hydrogen densely and release it near room temperature ...
Artificial Intelligence Transforms Material Synthesis Methods
Innovations in material science rarely capture widespread attention, yet the recent collaboration between Alqem AI and the Max Planck Institute ...
Unlocking AXH3 Hydrides for Hydrogen Storage and Spintronics
In a groundbreaking study set to be published in 2026, researchers led by R. Charif, W. Khan, and R. Makhloufi ...
Accelerated and Enhanced Reliability in Predicting Organic Molecule Crystal Structures
The study of crystal structures in organic molecules has long been a key focus in fields ranging from pharmaceuticals to ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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