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