Gregor Simm

Senior Researcher

Publications

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- SimPoly: Simulation of Polymers with Machine Learning Force Fields Derived from First Principles
  
  Gregor Simm, Jean Helie, Hannes Schulz, Yicheng Chen, Guillem Simeon, Anna Kuzina, Ernesto Martinez-Baez, Piero Gasparotto, Gabriele Tocci, Chi Chen, Yatao Li, Lixue Cheng, Zun Wang, Bichlien Nguyen, Jake Smith, Lixin Sun
  
  October 2025
  
  Preprint
- Understanding multi-fidelity training of machine-learned force-fields
  
  John L. A. Gardner, Hannes Schulz, Jean Helie, Lixin Sun, Gregor Simm
  
  June 2025
  
  Preprint PDF

- SimPoly: Simulation of Polymers with Machine Learning Force Fields Derived from First Principles
  
  Gregor Simm, Jean Helie, Hannes Schulz, Yicheng Chen, Guillem Simeon, Anna Kuzina, Ernesto Martinez-Baez, Piero Gasparotto, Gabriele Tocci, Chi Chen, Yatao Li, Lixue Cheng, Zun Wang, Bichlien Nguyen, Jake Smith, Lixin Sun
  
  October 2025
  
  Preprint
- Understanding multi-fidelity training of machine-learned force-fields
  
  John L. A. Gardner, Hannes Schulz, Jean Helie, Lixin Sun, Gregor Simm
  
  June 2025
  
  Preprint PDF

- SimPoly: Simulation of Polymers with Machine Learning Force Fields Derived from First Principles
  
  Gregor Simm, Jean Helie, Hannes Schulz, Yicheng Chen, Guillem Simeon, Anna Kuzina, Ernesto Martinez-Baez, Piero Gasparotto, Gabriele Tocci, Chi Chen, Yatao Li, Lixue Cheng, Zun Wang, Bichlien Nguyen, Jake Smith, Lixin Sun
  
  October 2025
  
  Preprint
- Understanding multi-fidelity training of machine-learned force-fields
  
  John L. A. Gardner, Hannes Schulz, Jean Helie, Lixin Sun, Gregor Simm
  
  June 2025
  
  Preprint PDF