T. Verstraelen

The Electronegativity Equalization Method and the Split Charge Equilibration Applied to Organic Systems: Parameterization, Validation and Comparison


Conference / event / venue 

Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, CECAM-HQ-EPFL
Lausanne, Switzerland
Monday, 7 June, 2010 to Wednesday, 9 June, 2010

Toon Verstraelen

  • Force-field model development
  • Atoms-in-molecules schemes
  • Polarizable force fields
  • Other topics of interest
  • Software development

See CMM Software for more details

Active research collaborations


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