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Professional web page of Florent Hédin

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  • About the author
  • Current & past jobs
    • PhD projects, university of Basel
      • Spatial averaging algorithm
      • Vibrational relaxation and energy migration in water
      • Fitting Toolkit for Nonbonded Parameters
      • The Partial Infinite Swapping Algorithm
      • Molecular dynamics investigation of Human Haemoglobin Tetramer stability
    • Postdoc projects, ENPC
      • Implementation of the Generalized Parallel Replica algorithm
    • IPAM (UCLA) projects
      • Deep Neural Network learning of physicochemical properties
  • Publications and Communications
  • Software
    • Open source and free software
    • Contributions to CHARMM
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Software

Open source and free software availability

See my GitHub webpage and my BitBucket webpage for a list of freely available and open source programs/libraries that I wrote.

 A non exhaustive detailed list can be accessed here


Contributions to CHARMM

During my PhD thesis I implemented two algorithms within the CHARMM Molecular Dynamics software : details here.

 

Pages

  • Current & past jobs
    • PhD projects, university of Basel
      • Spatial averaging algorithm
      • Vibrational relaxation and energy migration in water
      • Fitting Toolkit for Nonbonded Parameters
      • The Partial Infinite Swapping Algorithm
      • Molecular dynamics investigation of Human Haemoglobin Tetramer stability
    • Postdoc projects, ENPC
      • Implementation of the Generalized Parallel Replica algorithm
    • IPAM (UCLA) projects
      • Deep Neural Network learning of physicochemical properties
  • About the author
  • Software
    • Contributions to CHARMM
    • Open source and free software
  • Publications and Communications

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