6 Publikationen
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2021 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2952464Accurate quantum dynamics simulation of the photodetachment spectrum of the nitrate anion (NO3-) based on an artificial neural network diabatic potential modelPUB | DOI | WoS | PubMed | Europe PMC
Viel, Alexandra, 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 -
2020 | Dissertation | PUB-ID: 2956232Conquering coupled diabatic potential energy surfaces with artificial neural networks for nonadiabatic dynamicsPUB
Williams, David, Conquering coupled diabatic potential energy surfaces with artificial neural networks for nonadiabatic dynamics. (). Bielefeld, 2020 -
2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2946755Complete Nuclear Permutation Inversion Invariant Artificial Neural Network (CNPI-ANN) Diabatization for the Accurate Treatment of Vibronic Coupling ProblemsPUB | DOI | WoS | PubMed | Europe PMC
Williams, David, 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 -
2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2939038Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3.PUB | DOI | WoS | PubMed | Europe PMC
Williams, David, Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3.. The Journal of chemical physics 151 (16). , 2019 -
2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2937244Quantum dynamics and geometric phase in Ee Jahn-Teller systems with general Cnv symmetryPUB | DOI | WoS | PubMed | Europe PMC
Weike, Thomas, Quantum dynamics and geometric phase in Ee Jahn-Teller systems with general Cnv symmetry. The Journal of chemical physics 151 (7). , 2019 -
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2932761Neural network diabatization: A new ansatz for accurate high-dimensional coupled potential energy surfacesPUB | DOI | WoS | PubMed | Europe PMC
Williams, David, Neural network diabatization: A new ansatz for accurate high-dimensional coupled potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS 149 (20). , 2018