Søren Toxvaerd

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

Research interests

Recent publications

2013

• 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
Denmark

Email:st@ruc.dk
Tel: +45 4674 2062