PUB - Publikationen an der Universität Bielefeld

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• [6]
  

  2021 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2952464

  Viel A, Williams D, Eisfeld W. 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. 2021;154(8): 084302.

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

  2020 | Dissertation | PUB-ID: 2956232

  Williams D. 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

  Williams D, Eisfeld W. Complete Nuclear Permutation Inversion Invariant Artificial Neural Network (CNPI-ANN) Diabatization for the Accurate Treatment of Vibronic Coupling Problems. Journal of Physical Chemistry A. 2020;124(37):7608-7621.

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

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2939038

  Williams D, Viel A, Eisfeld W. Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3. The Journal of chemical physics. 2019;151(16): 164118.

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

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2937244

  Weike T, Williams D, Viel A, Eisfeld W. Quantum dynamics and geometric phase in Ee Jahn-Teller systems with general Cnv symmetry. The Journal of chemical physics. 2019;151(7): 074302.

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

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2932761

  Williams D, Eisfeld W. Neural network diabatization: A new ansatz for accurate high-dimensional coupled potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS. 2018;149(20): 204106.

  PUB | DOI | WoS | PubMed | Europe PMC