Basics of machine learning force fields | VASP Lecture

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  • Опубликовано: 12 янв 2025

Комментарии • 3

  • @fudeli4196
    @fudeli4196 2 года назад +6

    This lecture is perfect! Can you give a link share the PPT to study detail? Thank you from the bottom of my heart.

  • @josephpareti9156
    @josephpareti9156 8 месяцев назад

    does it make sense to apply this instead of using force fields? 'ANI-1: An extensible neural network potential with DFT accuracy at force
    field computational cost '

    • @user-pr1fp1wk3l
      @user-pr1fp1wk3l 7 месяцев назад +1

      This really depends on your computational ressources and system. I suggest you to read the Review Paper "Machine learning Force Fields" by Oliver Unke