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Tag: electronic structure calculations

  • Accurate Cluster Simulations Challenge Quantum Computer Expectations
    Quantum Research News

    Accurate Cluster Simulations Challenge Quantum Computer Expectations

    by Rohail T.March 31, 2026
  • Neural Networks Boost Accuracy of Quantum Simulations for Complex Materials
    Quantum Research News

    Neural Networks Boost Accuracy of Quantum Simulations for Complex Materials

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

    Standardised Tensor Calculations Promise Faster Simulations for Materials and Physics Research

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

    Qdk/chemistry Advances Modular Workflows, Connecting Classical & Quantum Chemistry Calculations

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

    Gputb-2 Achieves Higher Accuracy for Electronic Structure Calculations with N^3 Scaling

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

    Quantitative Multipole Analysis Advances Understanding of Altermagnetic Phenomena

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

    Quantum Monte Carlo Library Achieves Highly Accurate Electronic Structure Calculations

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

    Quantum Protocol Minimizes Measurements to 3 Settings for Band Structure Calculation, Independent of Qubit Number

    by 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 Network States with Emulated FP64 Achieve Chemical Accuracy for Systems up to CAS(113, 76)

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

    Sinc Basis Set Calculation Models 1D Cavity Molecular Orbitals and Energy Level Splitting

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

    PySCF Performance: Optimising Quantum Chemistry Calculations with GPUs and Python.

    by Dr. DonovanJune 10, 2025
  • PNLL and SandboxAQ Researchers Achieve Unprecedented Speed in Complex Chemical Modeling Calculations
    Quantum Applications

    PNLL and SandboxAQ Researchers Achieve Unprecedented Speed in Complex Chemical Modeling Calculations

    by Dr. DonovanOctober 31, 2024
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