Birs- 24w5171: Towards Routine Orbital-free Large-Scale Quantum-Mechanical Modelling of Materials
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Title: Kinetic Energy Density-Based Machine Learning Models of Kinetic Energy Using Gradient Expansion Based Features
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Title: Harnessing Chemical Understanding with Wave Function Theory, Density Functional Theory, Machine Learning, and Quantum Computers
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Title: Machine Learning Assisted Kinetic Energy Density Functionals Implemented in ABACUS
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Title: Electron Localization-Delocalization Matrices (LDMs): A Powerful Predictive Molecular Descriptor
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Title: The critical frequency in Quantum Hydrodynamic Theory
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Title: FFLUX: a Force Field Based on an Electron-Density Based Energy-Decomposition
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Title: Orbital-Free Density-Potential Functional Theory for Electronic Structure
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Title: Fast and Stable Framework for Nonlocal Kinetic Energy Density Functional Reconstruction in OF-DFT Calculations
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Title: Advanced Computational Modelling for Energy Applications
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Title: Nonlocal Free-Energy Density Functional Enables a Broad Range of Warm Dense Matter Simulations via ATLAS
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Title: Alchemical Derivatives for Orbital-Free Energies
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