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Julia Westermayr

Deep Learning for UV Absorption Spectra with SchNarc: First Steps Towards Transferability in Chemical Compound Space

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Jul 15, 2020
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Machine learning for electronically excited states of molecules

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Jul 10, 2020
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Machine learning and excited-state molecular dynamics

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May 28, 2020
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Combining SchNet and SHARC: The SchNarc machine learning approach for excited-state dynamics

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Feb 17, 2020
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Neural networks and kernel ridge regression for excited states dynamics of CH$_2$NH$_2^+$: From single-state to multi-state representations and multi-property machine learning models

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Dec 18, 2019
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Machine learning enables long time scale molecular photodynamics simulations

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Nov 22, 2018
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