202 citations · 629 across the 18 of their papers we have counts for
11 papers · 1 filter
The role of local bond-order at crystallization in a simple supercooled liquid
Søren Toxvaerd
Large scale Molecular Dynamics simulations of sixty-five systems with N=80000 Lennard-Jones particles at two different supercooled liquid state points reveals, that the supercooled…
The role of the peptides in enzymes at the origin of live
Søren Toxvaerd
The peptides in biosystems are homochiral polymers of L-amino acids, but razemisate slowly by an active isomerization kinetics. The chemical reactions in biosystems are, however, r…
Role of attractive forces in determining the equilibrium structure and dynamics of simple liquids
S. Toxvaerd
Molecular Dynamics simulations of a Lennard-Jones system with different range of attraction show that the attractive forces modify the radial distribution of the particles. For con…
Do the repulsive and attractive pair forces play separate roles for the physics of liquids?
Lasse Bøhling, Arno Veldhorst, Trond S. Ingebrigtsen +5
According to standard liquid-state theory repulsive and attractive pair forces play distinct roles for the physics of liquids. This paradigm is put into perspective here by demonst…
Role of the first coordination shell in determining the equilibrium structure and dynamics of simple liquids
Søren Toxvaerd, Jeppe C. Dyre
The traditional view that the physical properties of a simple liquid are determined primarily by its repulsive forces was recently challenged by Berthier and Tarjus, who showed tha…
NVU dynamics. II. Comparing to four other dynamics
Trond S. Ingebrigtsen, Søren Toxvaerd, Thomas B. Schrøder +1
In the companion paper [Ingebrigtsen et al., arXiv:1012.3447] an algorithm was developed for tracing out a geodesic curve on the constant-potential-energy hypersurface. Here simula…