Thijs Vogels

Senior Research Software Engineer

Publications

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- Molecular Implementation of the Machine-Learned Skala Exchange-Correlation Functional in CP2K through GauXC
  
  Franz Pöschel, Johann Pototschnig, Frederick Stein, A. Knüpfer, Thijs Vogels, Stefano Battaglia, Sebastian Ehlert, Jürg Hutter, T. D. Kühne
  
  August 2026
  
  arXiv | August 2026
  
  Publication
- Molecular Implementation of the Machine-Learned SkalaExchange–Correlation Functional in CP2K through GauXC
  
  Franz Poschel, Johann Pototschnig, Frederick Stein, Andreas Knupfer, Thijs Vogels, Stefano Battaglia, Sebastian Ehlert, Jurg Hutter, Thomas D. Kuhne
  
  August 2026
  
  Project
- Accurate and scalable exchange-correlation with deep learning
  
  Giulia Luise, Chin-Wei Huang, Thijs Vogels, Derk Kooi, Sebastian Ehlert, Stephanie Lanius, K.J.H. Giesbertz, Amir Karton, Deniz Gunceler, Megan Stanley, Wessel Bruinsma, Lin Huang, Xinran wei, Jose Garrido Torres, Abylay Katbashev, Rodrigo Chavez Zavaleta, Bálint Máté, Sékou-Oumar Kaba, Roberto Sordillo, Yingrong Chen, David B. Williams-Young, Christopher Bishop, Jan Hermann, Rianne van den Berg, Paola Gori-Giorgi
  
  June 2025
  
  PDF Preprint Video Access Access Project
- Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical space
  
  Sebastian Ehlert, Jan Hermann, Thijs Vogels, Victor Garcia Satorras, Stephanie Lanius, Marwin Segler, Derk Kooi, Kenji Takeda, Chin-Wei Huang, Giulia Luise, Rianne van den Berg, Paola Gori-Giorgi, Amir Karton
  
  June 2025
  
  PDF Preprint Video Access Project

- Molecular Implementation of the Machine-Learned Skala Exchange-Correlation Functional in CP2K through GauXC
  
  Franz Pöschel, Johann Pototschnig, Frederick Stein, A. Knüpfer, Thijs Vogels, Stefano Battaglia, Sebastian Ehlert, Jürg Hutter, T. D. Kühne
  
  August 2026
  
  arXiv | August 2026
  
  Publication
- Molecular Implementation of the Machine-Learned SkalaExchange–Correlation Functional in CP2K through GauXC
  
  Franz Poschel, Johann Pototschnig, Frederick Stein, Andreas Knupfer, Thijs Vogels, Stefano Battaglia, Sebastian Ehlert, Jurg Hutter, Thomas D. Kuhne
  
  August 2026
  
  Project
- Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical space
  
  Sebastian Ehlert, Jan Hermann, Thijs Vogels, Victor Garcia Satorras, Stephanie Lanius, Marwin Segler, Derk Kooi, Kenji Takeda, Chin-Wei Huang, Giulia Luise, Rianne van den Berg, Paola Gori-Giorgi, Amir Karton
  
  June 2025
  
  PDF Preprint Video Access Project
- Accurate and scalable exchange-correlation with deep learning
  
  Giulia Luise, Chin-Wei Huang, Thijs Vogels, Derk Kooi, Sebastian Ehlert, Stephanie Lanius, K.J.H. Giesbertz, Amir Karton, Deniz Gunceler, Megan Stanley, Wessel Bruinsma, Lin Huang, Xinran wei, Jose Garrido Torres, Abylay Katbashev, Rodrigo Chavez Zavaleta, Bálint Máté, Sékou-Oumar Kaba, Roberto Sordillo, Yingrong Chen, David B. Williams-Young, Christopher Bishop, Jan Hermann, Rianne van den Berg, Paola Gori-Giorgi
  
  June 2025
  
  PDF Preprint Video Access Access Project
- Molecular Implementation of the Machine-Learned Skala Exchange-Correlation Functional in CP2K through GauXC
  
  Franz Pöschel, Johann Pototschnig, Frederick Stein, A. Knüpfer, Thijs Vogels, Stefano Battaglia, Sebastian Ehlert, Jürg Hutter, T. D. Kühne
  
  August 2026
  
  arXiv | August 2026
  
  Publication

- Molecular Implementation of the Machine-Learned Skala Exchange-Correlation Functional in CP2K through GauXC
  
  Franz Pöschel, Johann Pototschnig, Frederick Stein, A. Knüpfer, Thijs Vogels, Stefano Battaglia, Sebastian Ehlert, Jürg Hutter, T. D. Kühne
  
  August 2026
  
  arXiv | August 2026
  
  Publication
- Molecular Implementation of the Machine-Learned SkalaExchange–Correlation Functional in CP2K through GauXC
  
  Franz Poschel, Johann Pototschnig, Frederick Stein, Andreas Knupfer, Thijs Vogels, Stefano Battaglia, Sebastian Ehlert, Jurg Hutter, Thomas D. Kuhne
  
  August 2026
  
  Project
- Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical space
  
  Sebastian Ehlert, Jan Hermann, Thijs Vogels, Victor Garcia Satorras, Stephanie Lanius, Marwin Segler, Derk Kooi, Kenji Takeda, Chin-Wei Huang, Giulia Luise, Rianne van den Berg, Paola Gori-Giorgi, Amir Karton
  
  June 2025
  
  PDF Preprint Video Access Project
- Accurate and scalable exchange-correlation with deep learning
  
  Giulia Luise, Chin-Wei Huang, Thijs Vogels, Derk Kooi, Sebastian Ehlert, Stephanie Lanius, K.J.H. Giesbertz, Amir Karton, Deniz Gunceler, Megan Stanley, Wessel Bruinsma, Lin Huang, Xinran wei, Jose Garrido Torres, Abylay Katbashev, Rodrigo Chavez Zavaleta, Bálint Máté, Sékou-Oumar Kaba, Roberto Sordillo, Yingrong Chen, David B. Williams-Young, Christopher Bishop, Jan Hermann, Rianne van den Berg, Paola Gori-Giorgi
  
  June 2025
  
  PDF Preprint Video Access Access Project

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