6 Publikationen
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2021 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2952464PUB | DOI | WoS | PubMed | Europe PMCViel, Alexandra, Williams, David, and Eisfeld, Wolfgang. 2021. “Accurate quantum dynamics simulation of the photodetachment spectrum of the nitrate anion (NO3-) based on an artificial neural network diabatic potential model”. The Journal of chemical physics 154 (8): 084302.
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2020 | Dissertation | PUB-ID: 2956232PUBWilliams, David. 2020. Conquering coupled diabatic potential energy surfaces with artificial neural networks for nonadiabatic dynamics. Bielefeld: Universität Bielefeld.
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2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2946755PUB | DOI | WoS | PubMed | Europe PMCWilliams, David, and Eisfeld, Wolfgang. 2020. “Complete Nuclear Permutation Inversion Invariant Artificial Neural Network (CNPI-ANN) Diabatization for the Accurate Treatment of Vibronic Coupling Problems”. Journal of Physical Chemistry A 124 (37): 7608-7621.
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2939038PUB | DOI | WoS | PubMed | Europe PMCWilliams, David, Viel, Alexandra, and Eisfeld, Wolfgang. 2019. “Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3.”. The Journal of chemical physics 151 (16): 164118.
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2937244PUB | DOI | WoS | PubMed | Europe PMCWeike, Thomas, Williams, David, Viel, Alexandra, and Eisfeld, Wolfgang. 2019. “Quantum dynamics and geometric phase in Ee Jahn-Teller systems with general Cnv symmetry”. The Journal of chemical physics 151 (7): 074302.
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2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2932761PUB | DOI | WoS | PubMed | Europe PMCWilliams, David, and Eisfeld, Wolfgang. 2018. “Neural network diabatization: A new ansatz for accurate high-dimensional coupled potential energy surfaces”. JOURNAL OF CHEMICAL PHYSICS 149 (20): 204106.