|internt fagligt projekt, 3. modul, 2001, id:172|
|Findes på RUb:||ja|
In the master theis we have investigated two methods for accelerating molecular dynamics simulations of viscous liquids. We have described the methods bias potential dynamics (hyper dynamics) and temperature accelerated dynamics. We have estimated the gain in calculation time. These estimates show that the methods may not be useful in large unordered systems. We have written a program that can be used to simulate a viscous model liquid. We have added a bias potential in order to accelerate the dynamics of the liquid. Unfortunatly we found that our bias potential accelerates the dynamics too irregulary to be useful.