Add to ORKGThe simulation of liquids is one of the first applications ever performed on a computer. The basic idea is to model the interaction between the particles in a simulation cell at an atomic level, and from there calculate for instance the motion of the individual particles by numerical solution of the equations of classical mechanics, as is done in the Molecular Dynamics (MD) simulation technique. It is also possible to generate conformations of particles based on macroscopic parameters such as pressure, volume and density, and sample properties of these conformations, as is done in the Monte Carlo (MC) simulation technique. ... Zie: Summary
.We describe the implementation of the cell multipole method CMM in a . .complete molecular dynamics...
Molecular dynamics is a method in which the motion of each individual atom or molecule is computed a...
A review. Since the first mol. dynamics simulations of hard spheres by Alder and Wainwright in the f...
This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques use...
Molecular dynamics simulation is a well-established techniquefor modelling complex many-particle sys...
The usefulness of computer simulations of dense polyatomic fluids is asserted and illustrated by mea...
During the last decade it has become feasible to simulate the behaviour of biologically relevant mol...
During the last decade it has become feasible to simulate the behaviour of biologically relevant mol...
After spending a number of months reviewing the literature in this field, two inevitable and immedia...
In the field of molecular simulations, the long-standing aim has been to study mechanisms that canno...
The development of thermodynamics and statistical mechanics is very important in the history of phys...
Studies of surfaces and interactions between dissimilar materials or phases are vital for modern tec...
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics...
This paper describes large-scale molecular dynamics simulations of liquid crystals. Simulations usin...
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
.We describe the implementation of the cell multipole method CMM in a . .complete molecular dynamics...
Molecular dynamics is a method in which the motion of each individual atom or molecule is computed a...
A review. Since the first mol. dynamics simulations of hard spheres by Alder and Wainwright in the f...
This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques use...
Molecular dynamics simulation is a well-established techniquefor modelling complex many-particle sys...
The usefulness of computer simulations of dense polyatomic fluids is asserted and illustrated by mea...
During the last decade it has become feasible to simulate the behaviour of biologically relevant mol...
During the last decade it has become feasible to simulate the behaviour of biologically relevant mol...
After spending a number of months reviewing the literature in this field, two inevitable and immedia...
In the field of molecular simulations, the long-standing aim has been to study mechanisms that canno...
The development of thermodynamics and statistical mechanics is very important in the history of phys...
Studies of surfaces and interactions between dissimilar materials or phases are vital for modern tec...
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics...
This paper describes large-scale molecular dynamics simulations of liquid crystals. Simulations usin...
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
.We describe the implementation of the cell multipole method CMM in a . .complete molecular dynamics...
Molecular dynamics is a method in which the motion of each individual atom or molecule is computed a...
A review. Since the first mol. dynamics simulations of hard spheres by Alder and Wainwright in the f...