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Tag: Potential Energy Surfaces

  • Ai’s Crystal Predictions Now Match Reality with Unprecedented Detail
    Physics

    Ai’s Crystal Predictions Now Match Reality with Unprecedented Detail

    by Rohail T.February 6, 2026
  • Non-Adiabatic Dynamics Reveals Picosecond and Femtosecond Proton Transfer in 3-Hydroxychromone
    Quantum Simulation

    Non-Adiabatic Dynamics Reveals Picosecond and Femtosecond Proton Transfer in 3-Hydroxychromone

    by Rohail T.February 2, 2026
  • Tensor Train Decomposition Achieves Global Optimisation, Overcoming Dimensionality Challenges for Clusters
    Quantum Research News

    Tensor Train Decomposition Achieves Global Optimisation, Overcoming Dimensionality Challenges for Clusters

    by Rohail T.January 30, 2026
  • Quantum Simulation Enables Precise Non-Adiabatic Molecular Dynamics for Chemical Systems
    Quantum Research News

    Quantum Simulation Enables Precise Non-Adiabatic Molecular Dynamics for Chemical Systems

    by Rohail T.December 4, 2025
  • Variational Monte Carlo Achieves Unbiased Atomic Forces for Accurate Electronic Structure Calculations on Modern-core Supercomputers
    Physics

    Variational Monte Carlo Achieves Unbiased Atomic Forces for Accurate Electronic Structure Calculations on Modern-core Supercomputers

    by Rohail T.November 17, 2025
  • Quantum-centric Machine Learning Predicts Molecular Wavefunctions, Enabling Efficient Ab Initio Molecular Dynamics
    Quantum Machine Learning

    Quantum-centric Machine Learning Predicts Molecular Wavefunctions, Enabling Efficient Ab Initio Molecular Dynamics

    by Rohail T.November 15, 2025
  • Caf+ca Interaction Study Defines Potential Energy Surfaces for Nine Electronic States and Trimer Formation
    Quantum Research News

    Caf+ca Interaction Study Defines Potential Energy Surfaces for Nine Electronic States and Trimer Formation

    by Rohail T.November 4, 2025
  • Machine Learning Potentials Advance Solvation Modelling for Complex Systems
    Science, Machine Learning

    Machine Learning Potentials Advance Solvation Modelling for Complex Systems

    by Quantum NewsMay 30, 2025
  • Researchers Develop Quantum Algorithm for Efficient Electronic State Analysis
    Quantum Research News

    Researchers Develop Quantum Algorithm for Efficient Electronic State Analysis

    by Quantum NewsJanuary 26, 2024

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