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. American Institute of Physics (AIP). doi:10.1063/5.0039503.

  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. Amer Chemical Soc. doi:10.1021/acs.jpca.0c05991.

  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. American Institute of Physics (AIP). doi:10.1063/1.5125851.

  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. American Institute of Physics (AIP). doi:10.1063/1.5115396.

  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. American Institute of Physics. doi:10.1063/1.5053664.

  PUB | DOI | WoS | PubMed | Europe PMC