6 Publikationen
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2021 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2952464Viel, A., Williams, D., & Eisfeld, W. (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. https://doi.org/10.1063/5.0039503PUB | DOI | WoS | PubMed | Europe PMC
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2020 | Dissertation | PUB-ID: 2956232Williams, D. (2020). Conquering coupled diabatic potential energy surfaces with artificial neural networks for nonadiabatic dynamics. Bielefeld: Universität Bielefeld.PUB
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2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2946755Williams, D., & Eisfeld, W. (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. https://doi.org/10.1021/acs.jpca.0c05991PUB | DOI | WoS | PubMed | Europe PMC
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2939038Williams, D., Viel, A., & Eisfeld, W. (2019). Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3. The Journal of chemical physics, 151(16), 164118. https://doi.org/10.1063/1.5125851PUB | DOI | WoS | PubMed | Europe PMC
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2937244Weike, T., Williams, D., Viel, A., & Eisfeld, W. (2019). Quantum dynamics and geometric phase in Ee Jahn-Teller systems with general Cnv symmetry. The Journal of chemical physics, 151(7), 074302. https://doi.org/10.1063/1.5115396PUB | DOI | WoS | PubMed | Europe PMC
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2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2932761Williams, D., & Eisfeld, W. (2018). Neural network diabatization: A new ansatz for accurate high-dimensional coupled potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS, 149(20), 204106. https://doi.org/10.1063/1.5053664PUB | DOI | WoS | PubMed | Europe PMC