Experiment-Driven Atomistic Materials Modeling : A Case Study Combining X-Ray Photoelectron Spectroscopy and Machine Learning Potentials to Infer the Structure of Oxygen-Rich Amorphous Carbon

Search results

• Active

  ATCAR: Uusien hiilipohjaisten materiaalien suunnittelu atomiskaalassa (ATCAR)

  Caro, M. (Principal investigator), Zarrouk, T. (Project Member), Quliyeva, U. (Project Member), Galán Morales, D. (Project Member), Muhli, H. (Project Member), Mäkimartti, V. (Project Member), Järvinen, K. (Project Member), Pršlja, P. (Project Member), Jana, R. (Project Member), Ibragimova, R. (Project Member), Weck, M. (Project Member) & Alshaer, D. (Project Member)

  01/09/2023 → 31/08/2027

  Project: RCF Academy Project

  • Density 100%
  • X-Ray Photoelectron Spectroscopy 89%
  • Learning System 89%
  • Graphene Oxide 71%
  • Interatomic Potential 71%
• Finished

  NEXTCELL Research costs: Next-generation interatomic potentials to simulate new cellulose-based materials (NEXTCELL)

  Caro, M. (Principal investigator), Ibragimova, R. (Project Member), Järvinen, K. (Project Member), Hernandez Leon, P. (Project Member) & Pršlja, P. (Project Member)

  01/09/2023 → 31/08/2025

  Project: RCF Academy Research Fellow: Research costs

  • Density 100%
  • Amorphous Carbon 71%
  • X-Ray Photoelectron Spectroscopy 71%
  • Amorphous Hydrogenated Carbon 71%
  • Surface Energy 71%

• NEXTCELL: Next generation interatomic potentials to simulate new cellulose based materials

  Caro, M. (Principal investigator)

  01/09/2020 → 31/08/2025

  Project: RCF Academy Research Fellow (new)

  • Density 100%
  • Amorphous Carbon 43%
  • Gaussians 43%
  • Learning System 34%
  • Surface (Surface Science) 32%

• NEXTCELL tutkimuskulut: Next-generation interatomic potentials to simulate new cellulose-based materials (NEXTCELL)

  Caro, M. (Principal investigator), Veit, M. (Project Member), Kuklin, M. (Project Member) & Ibragimova, R. (Project Member)

  01/09/2020 → 31/08/2023

  Project: RCF Academy Research Fellow: Research costs

  • Density 100%
  • Amorphous Carbon 71%
  • X-Ray Photoelectron Spectroscopy 71%
  • Amorphous Hydrogenated Carbon 71%
  • Surface Energy 71%

• COMPEX: Towards accurate computational experimentation: machine-learning-driven simulation of nanocarbon synthesis

  Caro, M. (Principal investigator), Zarrouk, T. (Project Member), Muhli, H. (Project Member), Wang, Y. (Project Member), Heinolainen, A. (Project Member), Jana, R. (Project Member), Hernandez Leon, P. (Project Member) & Kondati Natarajan, S. (Project Member)

  01/09/2019 → 31/08/2023

  Project: Academy of Finland: Other research funding

  • Density 100%
  • Learning System 45%
  • X-Ray Photoelectron Spectroscopy 42%
  • Thermal Conductivity 42%
  • Amorphous Carbon 42%