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Machine learning interatomic potentials

  • Molecule structure surrounded by neural overlay predicting property gradients, bright accurate output node, deep black space
    Quantum Machine Learning, Artificial Intelligence

    AI Model Boosts Molecular Property Prediction Accuracy

    by Muhammad Rohail T.February 25, 2026
  • Machine Learning Accurately Simulates Silicene’s Behaviour at 632 Kelvin
    Quantum Simulation

    Silicene Simulation: ML Predicts Melting Point

    by Muhammad Rohail T.February 16, 2026
  • Machine Learning Materials Modelling Boosted by 6 Angstrom Efficiency Breakthrough
    Quantum Computing Business News

    Machine Learning Speeds Materials Modelling

    by Muhammad Rohail T.February 5, 2026
  • Metal: Active Learning Advances High Entropy Oxide Discovery with Machine Learning Interatomic Potentials
    Emerging Technology

    High Entropy Oxides: AI Speeds Discovery

    by Muhammad Rohail T.January 13, 2026
  • Advances in Crystal Structure Prediction Unlock Superconducting Hydride Stability at 150 GPa
    Quantum Machine Learning

    Superconducting Hydrides: Stability Predicted at 150 GPa

    by Muhammad Rohail T.January 7, 2026
  • Lightpfp: Data-efficient Machine Learning Achieves Ab Initio Accuracy at Scale, Leveraging Universal Potentials for Tailored Simulations
    Quantum Technology

    LightPFP: Accurate Materials Models with Machine Learning

    by Muhammad Rohail T.November 4, 2025
  • Researchers Achieve 17-fold Speed-up in Materials Science with Universal MLIPs and 6% Accuracy
    Artificial Intelligence

    MLIPs Speed Materials Science by 17x with 6% Accuracy

    by Dr. DonovanSeptember 1, 2025
  • Researchers unlock machine learning potential with 120 million atomic configurations for materials discovery
    Machine Learning

    Machine Learning Speeds Materials Discovery

    by Dr. DonovanAugust 30, 2025
  • Machine Learning Reveals Oxygen’s Role in Strontium Titanate Ferroelectricity
    Machine Learning

    Machine Learning & Strontium Titanate Ferroelectricity

    by Dr. DonovanAugust 17, 2025
  • Machine Learning Accelerates Prediction of Defect Vibrational Properties in Solids
    Machine Learning

    Machine Learning Predicts Solid Defect Vibrations

    by Dr. DonovanAugust 13, 2025
  • Machine Learning Predicts Elastic Properties of Lightweight Aluminum-Magnesium-Zirconium Alloys
    Machine Learning

    Machine Learning Predicts Alloy Elasticity

    by Dr. DonovanAugust 11, 2025
  • Gradient Optimisation Accelerates Machine Learning Interatomic Potential Training for Materials Science.
    Quantum Technology

    Gradient Optimisation Speeds Materials ML Potentials

    by Dr. DonovanJuly 2, 2025
  • Machine Learning Interatomic Potentials Accurately Model Twisted Multilayer Graphene.
    Physics

    Graphene Modeling with Machine Learning Potentials

    by Dr. DonovanJune 19, 2025
  • Machine Learning Interatomic Potentials Refined by Experimental X-ray Data.
    Quantum Machine Learning

    ML Potentials Refined by X-ray Data

    by Dr. DonovanJune 14, 2025
  • SMU Chemist Elfi Kraka Develops Machine Learning Model for Atomic-Level Interactions
    Machine Learning

    Machine Learning Models Atomic Interactions

    by Dr. DonovanMarch 20, 2024

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