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electronic structure calculations

  • A vintage CRT television screen displays a glitching, pixelated grid pattern overlaid with static interference, creating a chaotic visual effect.
    Quantum Research News

    Researchers Find Static Correlation Impacts Catalyst Selectivity

    by Dr. DonovanSeptember 19, 2026
  • Accurate Cluster Simulations Challenge Quantum Computer Expectations
    Quantum Research News

    Quantum Simulations Challenge Computer Expectations

    by Dr. DonovanMarch 31, 2026
  • Neural Networks Boost Accuracy of Quantum Simulations for Complex Materials
    Quantum Research News

    Quantum Simulations Enhanced by Neural Networks

    by Muhammad Rohail T.February 16, 2026
  • Standardised Tensor Calculations Promise Faster Simulations for Materials and Physics Research
    Quantum Research News

    Tensor Calculations Speed Materials & Physics Simulations

    by Muhammad Rohail T.February 6, 2026
  • Qdk/chemistry Advances Modular Workflows, Connecting Classical & Quantum Chemistry Calculations
    Quantum Research News

    QDK/Chemistry Links Classical & Quantum Calculations

    by Muhammad Rohail T.January 23, 2026
  • Gputb-2 Achieves Higher Accuracy for Electronic Structure Calculations with N^3 Scaling
    Technology

    GPUTB-2: Accurate $N^3$ Electronic Structure Calculations

    by Muhammad Rohail T.January 21, 2026
  • Quantitative Multipole Analysis Advances Understanding of Altermagnetic Phenomena
    Technology

    Altermagnetism: Multipole Analysis Reveals Spin Splitting

    by Muhammad Rohail T.December 30, 2025
  • Quantum Monte Carlo Library Achieves Highly Accurate Electronic Structure Calculations
    Quantum Research News

    QMCkl: Accurate Electronic Structure Calculations

    by Muhammad Rohail T.December 20, 2025
  • Quantum Protocol Minimizes Measurements to 3 Settings for Band Structure Calculation, Independent of Qubit Number
    Physics

    Quantum Protocol: 3 Settings for Band Structure Calculation

    by Muhammad Rohail T.November 12, 2025
  • Mixed-precision Tensor Network States with Emulated FP64 Achieve Chemical Accuracy for Systems up to CAS(113, 76)
    Quantum Research News

    Mixed-Precision Tensor Networks Yield Chemical Accuracy

    by Muhammad Rohail T.October 9, 2025
  • Sinc Basis Set Calculation Models 1D Cavity Molecular Orbitals and Energy Level Splitting
    Technology, Quantum Research News

    Cavity Molecular Orbitals & Energy Splitting

    by Muhammad Rohail T.October 1, 2025
  • PySCF Performance: Optimising Quantum Chemistry Calculations with GPUs and Python.
    Quantum Simulation

    PySCF: GPU-Optimized Quantum Chemistry Calculations

    by Dr. DonovanJune 10, 2025
  • Quantum Chemistry Modeling: New Speed Record
    Quantum Applications

    Quantum Chemistry Modeling: New Speed Record

    by Dr. DonovanOctober 31, 2024

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