# Benchmarking Monte Carlo simulations of polymers

I have written a simulation engine in C++ to run a Monte Carlo simulation of polymers on a lattice. My code basically plants a polymer on a lattice, and performs certain Monte Carlo moves, including but not limited to the following:

I ensure that excluded volume effects are maintained in this system as it evolves (if two monomers overlap, energy diverges, and move is rejected). Now that my software is running, I would like to run some benchmarks on it.

My first thought is calculating Flory exponents. If I run my simulation with excluded volume and a certain monomer-solvent interaction, I should get a Flory exponent $$\nu$$ such that $$\langle R_g ^2 \rangle \propto N^\nu$$

If I have excluded volume interactions on a 3D lattice with no monomer-solvent interaction $$\epsilon _{ms} = 0$$, I should expect to see a $$\nu$$ of 0.6. My question is, is there a scaling behavior to be seen when I have a $$\epsilon_{ms} >0$$ (bad solvent) and a $$\epsilon _{ms} < 0$$ (good solvent)?

Are there any other benchmarks I should run to check my simulation engine is functioning up to the mark?

I would appreciate any advice you have for me.

• Check the software Cassandra by Maginn at Notre Dame. They probably have benchmarks for their monte carlo moves. cassandra.nd.edu. I think Daan Frenkel also has done alot of this, so maybe see if he has a website/code around with benchmarks. Same with Vlugt Nov 23, 2021 at 20:13
• Was the suggestion by Wesley helpful? Jan 14, 2022 at 2:09
• Yes, @NikeDattani! Jan 14, 2022 at 14:29
• Wow! Good news! Enough to write a self-answer? Jan 14, 2022 at 14:49
• @NikeDattani sure, I can do that Jan 27, 2022 at 14:52