Monte Carlo simulations of polymers

Dnr:

SNIC 2017/1-206

Type:

SNAC Medium

Principal Investigator:

Johan Nilsson

Affiliation:

Uppsala universitet

Start Date:

2017-05-05

End Date:

2018-06-01

Primary Classification:

10304: Den kondenserade materiens fysik

Secondary Classification:

10603: Biofysik

Webpage:

Allocation

Abstract

In this project classical Monte Carlo simulations will be used to study different properties of heteropolymers. In a previous work [1], chiral homopolymers was studied using Monte Carlo simulations of a universal theoretical model designed to describe the infrared limit of slow spatial variations of homopolymers. We have now updated the code to include more realistic long-distance interactions (e.g., van der Waals interactions, now parameterzied in terms of a Lennard-Jones potential). The other main new feature of the code is that it will allow us to study heteropolymers by changing the model parameters locally along the chain. One interesting question that can now be addressed is how two different chains interact with each other. [1] A. Sinelnikova, A. J. Niemi, M. Ulybyshev, Phys. Rev. E 92, 032602 (2015)