PUB - Publikationen an der Universität Bielefeld

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• [6]
  

  2021 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2952464

  A. Viel, D. Williams, and W. Eisfeld, “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, vol. 154, 2021, : 084302.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [5]
  

  2020 | Dissertation | PUB-ID: 2956232

  D. Williams, Conquering coupled diabatic potential energy surfaces with artificial neural networks for nonadiabatic dynamics, Bielefeld: Universität Bielefeld, 2020.

  PUB
   
• [4]
  

  2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2946755

  D. Williams and W. Eisfeld, “Complete Nuclear Permutation Inversion Invariant Artificial Neural Network (CNPI-ANN) Diabatization for the Accurate Treatment of Vibronic Coupling Problems”, Journal of Physical Chemistry A, vol. 124, 2020, pp. 7608-7621.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [3]
  

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2939038

  D. Williams, A. Viel, and W. Eisfeld, “Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3.”, The Journal of chemical physics, vol. 151, 2019, : 164118.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [2]
  

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2937244

  T. Weike, et al., “Quantum dynamics and geometric phase in Ee Jahn-Teller systems with general Cnv symmetry”, The Journal of chemical physics, vol. 151, 2019, : 074302.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [1]
  

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2932761

  D. Williams and W. Eisfeld, “Neural network diabatization: A new ansatz for accurate high-dimensional coupled potential energy surfaces”, JOURNAL OF CHEMICAL PHYSICS, vol. 149, 2018, : 204106.

  PUB | DOI | WoS | PubMed | Europe PMC