Machine learning force fields based on local parametrization of dispersion interactions: Application to the phase diagram of C60

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  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 39%
  • Gaussians 39%
  • Learning System 30%
  • Surface (Surface Science) 29%

• -: Formation of CO, CH4 and CH3OH by electrochemical reduction of CO2

  Caro, M. (Principal investigator), Pršlja, P. (Project Member), Ibragimova, R. (Project Member), Kuklin, M. (Project Member), Lehtomäki, J. (Project Member), Heinolainen, A. (Project Member), Hernandez Leon, P. (Project Member), Kloppenburg, J. (Project Member), Järvinen, K. (Project Member) & Zarrouk, T. (Project Member)

  01/01/2020 → 31/12/2023

  Project: Academy of Finland: Other research funding

  • Density 100%
  • Nanoparticle 69%
  • Density Functional Theory 58%
  • Learning System 46%
  • Carbon Dioxide 46%

• 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%

• Finnish Centre of Excellence in Quantum Technology

  Ala-Nissilä, T. (Principal investigator), Tuorila, J. (Project Member), Fan, Z. (Project Member), Hirvonen, P. (Project Member) & Alipour, S. (Project Member)

  01/01/2018 → 31/12/2020

  Project: Academy of Finland: Other research funding

  • Graphene 100%
  • Density 94%
  • Thermal Conductivity 76%
  • Nanoparticle 65%
  • Nanoparticles 50%

• Accurate computational electrochemistry from density functional theory and multiscale

  Caro, M. (Principal investigator)

  01/09/2017 → 31/08/2020

  Project: Academy of Finland: Other research funding

  • Density 100%
  • X-Ray Spectroscopy 31%
  • Learning System 31%
  • Machine Learning 31%
  • X-Ray Photoelectron Spectroscopy 26%

• Computational study of fluorescent silver clusters with implications for biosensing and bioimaging applications

  Chen, X. (Principal investigator), Makkonen, E. (Project Member), Lehtomäki, J. (Project Member), Muhli, H. (Project Member) & Fang, L. (Project Member)

  01/09/2017 → 30/09/2020

  Project: Academy of Finland: Other research funding

  • Conformational Isomer 100%
  • Density 83%
  • Amino Acid 66%
  • Metal Cluster 66%
  • Conformers 66%

• Computational study of fluorescent silver clusters with implications for biosensing and bioimaging applications

  Chen, X. (Principal investigator)

  01/09/2017 → 31/08/2022

  Project: Academy of Finland: Other research funding

  • Conformational Isomer 100%
  • Nanoclusters 100%
  • Monolayer 80%
  • Cysteine 80%
  • Metal Cluster 80%