Søgeresultater - "Electronic structure Computer simulation."

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  1. Omslagsbillede

    Machine learning and data-driven methods in computational surface and interface science af Hörmann, Lukas

    Udgivet i NPJ Computational Materials (2025)
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  2. Omslagsbillede

    Comparison between tensor methods and neural networks in electronic structure calculations af Dus, Mathias

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  3. Omslagsbillede

    A Facile Synthesis Strategy for N-Doped Graphene Quantum Dots Electrode Materials: Electrochemical Behaviors and Universal Energy Storage Mechanism af Wang, Yongbo

    Udgivet i Materials (2025)
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  4. Omslagsbillede

    Machine learning force-field model for kinetic Monte Carlo simulations of itinerant Ising magnets af Tyberg, Alexa

    Udgivet i arXiv.org (Nov 29, 2024)
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  5. Omslagsbillede

    Towards quantum-centric simulations of extended molecules: sample-based quantum diagonalization enhanced with density matrix embedding theory af Shajan, Akhil

    Udgivet i arXiv.org (Dec 23, 2024)
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  6. Omslagsbillede

    Simulating electronic structure on bosonic quantum computers af Dutta, Rishab

    Udgivet i arXiv.org (Oct 17, 2024)
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  7. Omslagsbillede

    Unification of Finite Symmetries in Simulation of Many-body Systems on Quantum Computers af Bastidas, Victor M

    Udgivet i arXiv.org (Nov 7, 2024)
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  8. Omslagsbillede

    Does the full configuration interaction method based on quantum phase estimation with Trotter decomposition satisfy the size consistency condition? af Sugisaki, Kenji

    Udgivet i arXiv.org (Aug 8, 2024)
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  9. Omslagsbillede

    i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations af Litman, Yair

    Udgivet i arXiv.org (Jul 10, 2024)
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  10. Omslagsbillede

    Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms af Kokott, Sebastian

    Udgivet i arXiv.org (Mar 15, 2024)
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  11. Omslagsbillede

    A quantum computing approach to fixed-node Monte Carlo using classical shadows af Blunt, Nick S

    Udgivet i arXiv.org (Oct 24, 2024)
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  12. Omslagsbillede

    Spin coupling is all you need: Encoding strong electron correlation on quantum computers af Marti-Dafcik, Daniel

    Udgivet i arXiv.org (Apr 29, 2024)
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  13. Omslagsbillede

    Non-adiabatic quantum dynamics with fermionic subspace-expansion algorithms on quantum computers af Gandon, Anthony

    Udgivet i arXiv.org (Feb 23, 2024)
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  14. Omslagsbillede

    Hamiltonian simulation-based quantum-selected configuration interaction for large-scale electronic structure calculations with a quantum computer af Sugisaki, Kenji

    Udgivet i arXiv.org (Dec 10, 2024)
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  15. Omslagsbillede

    First-Principles Investigations of the Electronic Structure and Mechanical Characteristics of Nd3+-Doped YAlO3 Crystals af Meng, Shuai

    Udgivet i Crystals (2024)
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  16. Omslagsbillede

    Electronic structure prediction of multi-million atom systems through uncertainty quantification enabled transfer learning af Pathrudkar, Shashank

    Udgivet i NPJ Computational Materials (2024)
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  17. Omslagsbillede

    Magnetic Railway Sleeper Detector af Heindler, Lukas

    Udgivet i Electronics (2024)
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  18. Omslagsbillede

    Recent Developments in Computer Modeling of Amorphous Materials af Drabold, D A

    Udgivet i arXiv.org (Dec 23, 2003)
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  19. Omslagsbillede

    A Scalable Approach to Quantum Simulation via Projection-based Embedding af Ralli, Alexis

    Udgivet i arXiv.org (May 17, 2022)
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  20. Omslagsbillede

    KITE: high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures af João, Simão M

    Udgivet i arXiv.org (Mar 13, 2020)
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