6 Publikationen
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2021 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2952464Viel, A., Williams, D., Eisfeld, W.: 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, : 084302 (2021).PUB | DOI | WoS | PubMed | Europe PMC
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2020 | Dissertation | PUB-ID: 2956232Williams, D.: Conquering coupled diabatic potential energy surfaces with artificial neural networks for nonadiabatic dynamics. Universität Bielefeld, Bielefeld (2020).PUB
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2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2946755Williams, D., Eisfeld, W.: 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, 7608-7621 (2020).PUB | DOI | WoS | PubMed | Europe PMC
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2939038Williams, D., Viel, A., Eisfeld, W.: Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3. The Journal of chemical physics. 151, : 164118 (2019).PUB | DOI | WoS | PubMed | Europe PMC
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2937244Weike, T., Williams, D., Viel, A., Eisfeld, W.: Quantum dynamics and geometric phase in Ee Jahn-Teller systems with general Cnv symmetry. The Journal of chemical physics. 151, : 074302 (2019).PUB | DOI | WoS | PubMed | Europe PMC
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2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2932761Williams, D., Eisfeld, W.: Neural network diabatization: A new ansatz for accurate high-dimensional coupled potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS. 149, : 204106 (2018).PUB | DOI | WoS | PubMed | Europe PMC