Diamond: color centers & growth

Under Construction

Projects

  1. AI-accelerated quantum mechanical modeling of the optical properties of semiconductor materials [BOF-BILA, UHasselt/UNamur, 2024-2028]
  2. Augmenting DFT modelling of vibrational spectra through Machine Learning and Deep Neural networks using small data sets. [2023-2027]

 

Publications

  1. First-principles investigation of hydrogen-related reactions on (100)–(2×1)∶H diamond surfaces
    Emerick Y. Guillaume, Danny E. P. Vanpoucke, Rozita Rouzbahani, Luna Pratali Maffei, Matteo Pelucchi, Yoann Olivier, Luc Henrard, and Ken Haenen,
    Carbon 222, 118949 (2024),
    doi: 10.1016/j.carbon.2024.118949 {IF(2022)=10.9}

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