Søren Toxvaerd

Søren Toxvaerd

Danish National Research Foundation centre for Glass & Time, Roskilde Universitet

Research interests

Discrete dynamics.
Origin of homochirality.
Molecular Dynamics simulations.
Highly viscous liquids.
Phase transitions, phase separation and nucleation dynamics.
Self assembly in complex systems.
Molecular Dynamics algorithms
Molecular Dynamics simulations of complex physical, chemical and biological systems

Recent publications


  • Nucleation and droplet growth from supersaturated vapor at temperatures below the triple point temperature
  • 2015

  • Dynamics of homogeneous nucleation
  • Role of attractive forces in determining the equilibrium structure and dynamics of simple liquids
  • 2014

  • Discrete dynamics versus analytic dynamics
  • 2013

  • Ensemble simulations with discrete classical dynamics
  • The Role of Carbohydrates at the Origin of Homochirality in Biosystems
  • Do the repulsive and attractive pair forces play separate roles for the physics of liquids?
  • 2012

  • Stability of Molecular Dynamics simulations of classical systems
  • Energy conservation in Molecular Dynamics simulations of classical systems
  • 2011

  • Role of the first coordination shell in determining the equilibrium structure and dynamics of simple liquids
  • Simulations of crystallization in supercooled nanodroplets in the presence of a strong exothermic solute
  • NVU dynamics. I. Geodesic motion on the constant-potential-energy hypersurface
  • NVU dynamics. II. Comparing to four other dynamics
  • Communication: Shifted forces in molecular dynamics
  • 2010

  • Time reversible molecular dynamics algorithms with holonomic bond constraints in the $NPH$ and $NPT$ ensemble using molecular scaling
  • Hidden scale invariance in molecular van der Waals liquids: A simulation study
  • Time-reversible molecular dynamics algorithms with bond constraints
  • Stability of supercooled binary liquid mixtures
  • Origin of Homochirality in Biosystems
  • Molecular Dynamics Simulation of Prewetting
  • Origin of homochirality in biological systems
  • Contact Angles of Lennard-Jones Liquids and Droplets on Planar Surfaces
  • Contact information

    Professor Søren Toxværd
    DNRF Centre of Viscous Liquid Dynamics "Glass and Time"
    IMFUFA, Building 27
    Roskilde University
    Universitetsvej 1
    DK-4000 Roskilde

    Tel: +45 4674 2062