Search Results - Gallmetzer, Hans Georg

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  1. 1
    A general strategy for improving the performance of PINNs -- Analytical gradients and advanced optimizers in the NeuralSchrödinger framework

    A general strategy for improving the performance of PINNs -- Analytical gradients and advanced optimizers in the NeuralSchrödinger framework by Gamper, Jakob, Gallmetzer, Hans Georg, Weiss, Alexander K.H., Hofer, Thomas S.

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  2. 2
    Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method

    Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method by Gallmetzer, Hans Georg, Sangiogo Gil, Eduarda, González, Leticia

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  3. 3
    Probing the range of applicability of structure‐ and energy‐adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approaches

    Probing the range of applicability of structure‐ and energy‐adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approaches by Gallmetzer, Hans Georg, Hofer, Thomas S.

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  4. 4
    Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method

    Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method

    Published in ChemRxiv
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