Search Results - "Brzęk, Filip"

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  1. 1
    Benchmarking the Accuracy of Seniority-Zero Wave Function Methods for Noncovalent Interactions

    Benchmarking the Accuracy of Seniority-Zero Wave Function Methods for Noncovalent Interactions by Brzęk, Filip, Boguslawski, Katharina, Tecmer, Paweł, Żuchowski, Piotr Szymon

    Published in Journal of chemical theory and computation (09-07-2019)
    “…In this paper, we scrutinize the ability of seniority-zero wave function-based methods to model different types of noncovalent interactions, such as hydrogen…”
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  2. 2
    Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics

    Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics by Boguslawski, Katharina, Leszczyk, Aleksandra, Nowak, Artur, Brzęk, Filip, Żuchowski, Piotr Szymon, Kędziera, Dariusz, Tecmer, Paweł

    Published in Computer physics communications (01-07-2021)
    “…Pythonic Black-box Electronic Structure Tool (PyBEST) represents a fully-fledged modern electronic structure software package developed at Nicolaus Copernicus…”
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  3. 3
    PyBEST: Improved functionality and enhanced performance

    PyBEST: Improved functionality and enhanced performance by Boguslawski, Katharina, Brzęk, Filip, Chakraborty, Rahul, Cieślak, Kacper, Jahani, Seyedehdelaram, Leszczyk, Aleksandra, Nowak, Artur, Sujkowski, Emil, Świerczyński, Julian, Ahmadkhani, Somayeh, Kędziera, Dariusz, Kriebel, Maximilian H., Żuchowski, Piotr Szymon, Tecmer, Paweł

    Published in Computer physics communications (01-04-2024)
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  4. 4
    Benchmarking the accuracy of seniority-zero wavefunction methods for non-covalent interactions

    Benchmarking the accuracy of seniority-zero wavefunction methods for non-covalent interactions by Brzęk, Filip, Boguslawski, Katharina, Tecmer, Paweł, Żuchowski, Piotr S

    Published 17-02-2020
    “…J. Chem. Theory Comput. 15, 4021-4035(2019) In this paper, we scrutinize the ability of seniority-zero wavefunction-based methods to model different types of…”
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  5. 5
    Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics

    Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics by Boguslawski, Katharina, Leszczyk, Aleksandra, Nowak, Artur, Brzęk, Filip, Żuchowski, Piotr Szymon, Kędziera, Dariusz, Tecmer, Paweł

    Published 12-10-2020
    “…Pythonic Black-box Electronic Structure Tool (PyBEST) represents a fully-fledged modern electronic structure software package developed at Nicolaus Copernicus…”
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