Search Results - Schwörer, Magnus

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  1. 1
    Polarizable Water Models from Mixed Computational and Empirical Optimization

    Polarizable Water Models from Mixed Computational and Empirical Optimization by Tröster, Philipp, Lorenzen, Konstantin, Schwörer, Magnus, Tavan, Paul

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  2. 2
    Simulated Solute Tempering in Fully Polarizable Hybrid QM/MM Molecular Dynamics Simulations

    Simulated Solute Tempering in Fully Polarizable Hybrid QM/MM Molecular Dynamics Simulations by Schwörer, Magnus, Wichmann, Christoph, Gawehn, Erik, Mathias, Gerald

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  3. 3
    Optimizing the Accuracy and Efficiency of Fast Hierarchical Multipole Expansions for MD Simulations

    Optimizing the Accuracy and Efficiency of Fast Hierarchical Multipole Expansions for MD Simulations by Lorenzen, Konstantin, Schwörer, Magnus, Tröster, Philipp, Mates, Simon, Tavan, Paul

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  4. 4
    Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations

    Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations by Schwörer, Magnus, Lorenzen, Konstantin, Mathias, Gerald, Tavan, Paul

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  5. 5
    Correction to “Polarizable Water Models from Mixed Computational and Empirical Optimization”

    Correction to “Polarizable Water Models from Mixed Computational and Empirical Optimization” by Tröster, Philip, Lorenzen, Konstantin, Schwörer, Magnus, Tavan, Paul

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  6. 6
    A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water

    A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water by Schwörer, Magnus, Wichmann, Christoph, Tavan, Paul

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  7. 7
    Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations

    Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations by Schwörer, Magnus, Breitenfeld, Benedikt, Tröster, Philipp, Bauer, Sebastian, Lorenzen, Konstantin, Tavan, Paul, Mathias, Gerald

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  8. 8
    Extreme Scale-out SuperMUC Phase 2 - lessons learned

    Extreme Scale-out SuperMUC Phase 2 - lessons learned by Hammer, Nicolay, Jamitzky, Ferdinand, Satzger, Helmut, Allalen, Momme, Block, Alexander, Karmakar, Anupam, Brehm, Matthias, Bader, Reinhold, Iapichino, Luigi, Ragagnin, Antonio, Karakasis, Vasilios, Kranzlmüller, Dieter, Bode, Arndt, Huber, Herbert, Kühn, Martin, Machado, Rui, Grünewald, Daniel, Edelmann, Philipp V F, Röpke, Friedrich K, Wittmann, Markus, Zeiser, Thomas, Wellein, Gerhard, Mathias, Gerald, Schwörer, Magnus, Lorenzen, Konstantin, Federrath, Christoph, Klessen, Ralf, Karl-Ulrich Bamberg, Ruhl, Hartmut, Schornbaum, Florian, Bauer, Martin, Anand, Nikhil, Qi, Jiaxing, Klimach, Harald, Stüben, Hinnerk, Deshmukh, Abhishek, Falkenstein, Tobias, Dolag, Klaus, Petkova, Margarita

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