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Tag: interatomic potentials

  • Abstract illustration of a luminous green electronic circuit board or PCB being scanned by a pink or magenta laser beam from above, with glowing circuit traces and component outlines visible against a dark background
    Machine Learning

    Researchers Calibrate Force Estimates with 96% Accuracy

    by Muhammad Rohail T.February 20, 2026
  • Laser Technique Precisely Maps How Rubidium Atoms Disperse in Gases
    Quantum Sensors

    Rubidium Diffusion Mapped with Laser Technique

    by Muhammad Rohail T.February 17, 2026
  • Researchers Calculate Resonant State of Four Atoms Appearing in Cold Atom Scattering
    Quantum Physics

    Cold Atom Scattering: Resonant State of Four Atoms

    by Muhammad Rohail T.February 17, 2026
  • Software Automates Nanoscale Material Analysis, Bypassing Specialist Expertise Requirements
    Quantum Computing

    Software Automates Nanoscale Material Analysis

    by Muhammad Rohail T.February 11, 2026
  • Fire Framework Achieves Battery Interface Accuracy with Just 10% Data Needed
    Quantum Research News

    FIRE Framework Boosts Battery Design with 10% Data

    by Muhammad Rohail T.February 2, 2026
  • Geodite Achieves Accurate Equivariant Interatomic Potentials Without Tensor Products
    Quantum Machine Learning

    Geodite: Accurate Interatomic Potentials

    by Muhammad Rohail T.January 27, 2026
  • Bayesian Free-Energy Reconstruction from Molecular Dynamics Accurately Predicts Thermodynamic Properties and Phase Stability
    Physics

    Bayesian Reconstruction Predicts Material Stability

    by Muhammad Rohail T.November 20, 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
  • Machine Learning Predicts Elastic Properties of Lightweight Aluminum-Magnesium-Zirconium Alloys
    Machine Learning

    Machine Learning Predicts Alloy Elasticity

    by Dr. DonovanAugust 11, 2025
  • Machine Learning Interatomic Potentials Accurately Model Twisted Multilayer Graphene.
    Physics

    Graphene Modeling with Machine Learning Potentials

    by Dr. DonovanJune 19, 2025
  • NequIP Framework Achieves 18x Speedup in Molecular Dynamics with Advanced Interatomic Potentials
    Physics

    NequIP: 18x Faster Molecular Dynamics Simulations

    by Dr. DonovanApril 24, 2025
  • Reinforcement Learning Enhances Materials Design Through AI-Driven Generative Models
    Artificial Intelligence

    Reinforcement Learning for Materials Design

    by Dr. DonovanApril 8, 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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