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Tag: density functional theory

  • Diamond Sensors Enhance Precision Measurement with Graphene Interface.
    Quantum Sensors

    Diamond Sensors Enhance Precision Measurement with Graphene Interface.

    by Quantum NewsJuly 4, 2025
  • Light Control: Engineering Topological States in Solids with Photonic Structures.
    Quantum Technology

    Light Control: Engineering Topological States in Solids with Photonic Structures.

    by Quantum NewsJuly 2, 2025
  • Gradient Optimisation Accelerates Machine Learning Interatomic Potential Training for Materials Science.
    Quantum Technology

    Gradient Optimisation Accelerates Machine Learning Interatomic Potential Training for Materials Science.

    by Quantum NewsJuly 2, 2025
  • Coal Composites’ Electronic Properties Influenced by Structure and Impurities.
    Physics

    Coal Composites’ Electronic Properties Influenced by Structure and Impurities.

    by Quantum NewsJune 29, 2025
  • Entangled Atom Simulation Advances with Correlated Wavefunction Approach for Large Systems.
    Quantum Research News

    Entangled Atom Simulation Advances with Correlated Wavefunction Approach for Large Systems.

    by Quantum NewsJune 26, 2025
  • Accurate Atomic Simulations Demand New Kinetic Energy Density Functionals.
    Physics

    Accurate Atomic Simulations Demand New Kinetic Energy Density Functionals.

    by Quantum NewsJune 24, 2025
  • Machine Learning Interatomic Potentials Accurately Model Twisted Multilayer Graphene.
    Physics

    Machine Learning Interatomic Potentials Accurately Model Twisted Multilayer Graphene.

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

    Machine Learning Interatomic Potentials Refined by Experimental X-ray Data.

    by Quantum NewsJune 14, 2025
  • Machine Learning Predicts Material Response to Electric Fields at Million-Atom Scale
    Machine Learning

    Machine Learning Predicts Material Response to Electric Fields at Million-Atom Scale

    by Quantum NewsJune 9, 2025
  • Machine Learning Predicts Ideal Materials for Long-Coherence Quantum Defects.
    Quantum Research News

    Machine Learning Predicts Ideal Materials for Long-Coherence Quantum Defects.

    by Quantum NewsJune 8, 2025
  • Quantum Processor Calculates Ground State Energy of Helium Molecule with High Accuracy Using VQE
    Quantum Research News

    Quantum Processor Calculates Ground State Energy of Helium Molecule with High Accuracy Using VQE

    by Quantum NewsApril 11, 2025
  • Breakthrough in Quantum Computing for Chemically Accurate Simulations
    Quantum Applications

    Breakthrough in Quantum Computing for Chemically Accurate Simulations

    by Quantum NewsNovember 20, 2024
  • Microsoft's Azure Quantum Elements Unveils Generative Chemistry Tool
    Quantum Computing Business News, Drug Discovery

    Microsoft’s Azure Quantum Elements Unveils Generative Chemistry Tool

    by Quantum NewsJune 19, 2024
  • QuanDB: A Quantum Chemical Database Enhancing 3D Molecular Learning for Drug and Material Design
    Quantum Research News

    QuanDB: A Quantum Chemical Database Enhancing 3D Molecular Learning for Drug and Material Design

    by Quantum NewsMay 1, 2024
  • Quantum Leap: Illinois Researchers Develop New Europium Compound for Quantum Memory Storage
    Quantum Research News

    Quantum Leap: Illinois Researchers Develop New Europium Compound for Quantum Memory Storage

    by Quantum NewsMarch 15, 2024
  • Researchers Develop APNet: A Quantum Leap in Predicting Protein-Ligand Interactions
    Quantum Research News

    Researchers Develop APNet: A Quantum Leap in Predicting Protein-Ligand Interactions

    by Quantum NewsFebruary 18, 2024
  • Indiana University Scientist Advances Quantum Computing with New Spin Relaxation Mechanism for Molecular Qubits
    Quantum Research News

    Indiana University Scientist Advances Quantum Computing with New Spin Relaxation Mechanism for Molecular Qubits

    by Quantum NewsFebruary 5, 2024

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