Binary Nanoparticle Superlattices (BNSL)

What does this code do

• The code simulates the assembly of two types of charged nanoparticles (NPs) into aggregates mediated by smaller, oppositely-charged linkers under different ionic physiological conditions.

• The NPs are modeled after P22 virus-like particles (VLPs) of diameter 56 nanometers, and linkers represent smaller nanoparticles (dendrimers) of 6 nanometer diameter.

• Simulations are performed using LAMMPS; pre- and postprocessing are done using C++ codes.

• Simulation results are tested and validated using SAXS and dynamic light scattering measurements of the VLP aggregates; experiments also guide the model design.

Local install and testing (after loading the needed modules):

• module load gsl && module load openmpi/3.0.1 && module load boost/1_67_0
• from root (bnsl) directory: make local-install
• cd bin/
• to test 1:1 systems: make run-preprocessor r=1
• to test 1:4 systems: make run-preprocessor r=4

nanoHUB app page:

• https://nanohub.org/tools/bnsl