Showing 41 - 60 results of 80 for search 'chemical computer', query time: 0.08s Refine Results
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    Symmetry-invariant quantum machine learning force fields by Isabel Nha Minh Le, Oriel Kiss, Julian Schuhmacher, Ivano Tavernelli, Francesco Tacchino

    Published 2025-01-01
    “…Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. …”
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    Article
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    Application of the Natural Decomposition Method to Strongly Coupled Partial Differential Equations: The Gray-Scott Model. by Nsingwire, Godwin

    Published 2024
    “…Overall, the natural decomposition method proves to be a robust and versatile tool, offering both analytical clarity and computational efficiency in modeling complex chemical and biological systems governed by nonlinear partial differential equations.…”
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    Thesis
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    Principles of Agronomy for Sustainable Agriculture /

    Published 2016
    View in OPAC
    Electronic eBook
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    Metallic transports from accelerating black holes by Dibakar Roychowdhury

    Published 2025-01-01
    “…We further compute resistivity in different temperature regime, which reveals a new quantum liquid phase with dynamic critical exponent z = 3.…”
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    Article
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    Spin-bearing molecules as optically addressable platforms for quantum technologies by Kuppusamy Senthil Kumar, Hunger David, Ruben Mario, Goldner Philippe, Serrano Diana

    Published 2024-10-01
    “…We envision that optically addressable spin-carrying molecules could become a scalable building block of quantum hardware for applications in the fields of quantum sensing, quantum communication and quantum computing.…”
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    Article
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    Modeling and estimation of physiochemical properties of cancer drugs using entropy measures by Qasem M. Tawhari, Muhammad Naeem, Abdul Rauf, Muhammad Kamran Siddiqui, Oladele Oyelakin

    Published 2025-02-01
    “…Entropy measures are used to predict physical and chemical properties of drugs. In this paper, we compute entropy measures for the hyaluronic acid-paclitaxel conjugate using the edge/connectivity partition approach. …”
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    Article