PUB - Publikationen an der Universität Bielefeld

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• [6]
  

  2021 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2952464

  Viel, 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

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

  2020 | Dissertation | PUB-ID: 2956232

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

  PUB
   
• [4]
  

  2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2946755

  Williams, 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.

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

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2939038

  Williams, 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

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

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2937244

  Weike, 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

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

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2932761

  Williams, 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

  PUB | DOI | WoS | PubMed | Europe PMC