Søren Toxvaerd

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

Research interests

Discrete dynamics.
Astrophysics.
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.
Archaeology.

Recent publications

2023

• The Formation and Stability of Homochiral Peptides in Aqueous Prebiological Environment in the Earth's Crust

  2022

  • The stability of galaxies in an expanding universe obtained by Newtonian dynamics

    • Planetary systems with forces other than gravitational forces

    • An algorithm for coalescence of classical objects and formation of planetary systems

    2021

    • The emergence of the Bilateral Symmetry in Animals: A Review and a new Hypothesis

    • The role of the attractive forces in a supercooled liquid

    2020

    • The role of the local bond-order at crystallization in a simple supercooled liquid

    • The strontium isotope ratio $^{87}$Sr/$^{86}$Sr in archaeological organic matter conserved in acidic anaerobic environments is hard to interpret

    • Newton's discrete dynamics

    2019

    • A Prerequisite for Life

    2018

    • The start of the Abiogenesis: Preservation of homochirality in proteins as a necessary and sufficient condition for the establishment of the metabolism

    2017

    • The role of the peptides at the origin of life

    2016

    • 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
    Denmark

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