6 Publikationen
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2021 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2952464Viel, Alexandra, Williams, David, and Eisfeld, Wolfgang. “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 (2021): 084302.PUB | DOI | WoS | PubMed | Europe PMC
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2020 | Dissertation | PUB-ID: 2956232Williams, David. Conquering coupled diabatic potential energy surfaces with artificial neural networks for nonadiabatic dynamics. Bielefeld: Universität Bielefeld, 2020.PUB
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2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2946755Williams, David, and Eisfeld, Wolfgang. “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 (2020): 7608-7621.PUB | DOI | WoS | PubMed | Europe PMC
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2939038Williams, David, Viel, Alexandra, and Eisfeld, Wolfgang. “Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3.”. The Journal of chemical physics 151.16 (2019): 164118.PUB | DOI | WoS | PubMed | Europe PMC
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2937244Weike, Thomas, Williams, David, Viel, Alexandra, and Eisfeld, Wolfgang. “Quantum dynamics and geometric phase in Ee Jahn-Teller systems with general Cnv symmetry”. The Journal of chemical physics 151.7 (2019): 074302.PUB | DOI | WoS | PubMed | Europe PMC
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2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2932761Williams, David, and Eisfeld, Wolfgang. “Neural network diabatization: A new ansatz for accurate high-dimensional coupled potential energy surfaces”. JOURNAL OF CHEMICAL PHYSICS 149.20 (2018): 204106.PUB | DOI | WoS | PubMed | Europe PMC