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Philipp Marquetand

Gold-standard solutions to the Schrödinger equation using deep learning: How much physics do we need?

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May 31, 2022
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Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks

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May 18, 2021
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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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Molecular Dynamics with Neural-Network Potentials

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Dec 18, 2018
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Machine learning enables long time scale molecular photodynamics simulations

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Nov 22, 2018
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WACSF - Weighted Atom-Centered Symmetry Functions as Descriptors in Machine Learning Potentials

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Dec 15, 2017
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