Enables fast predictions of the morphologies of copolymer mixtures in next-generation photovoltaic devices, fuel cells, and nanophotonic materials.

psim psimplusPSimPlus includes algorithms for simulating block copolymers mixtures in confinement as well as a hybrid-SCFT method for explicitly including nanoparticles.


  • Arbitrary confinement geometries
  • Structured interactions on surfaces
  • Hybrid-SCFT algorithm for nanocomposites

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linear triblock
Linear Triblock

Projected monomer density values for phase-segregated linear ABA triblock.

zone anneal

Zone Annealing

Intermediate morphology for a linear AB diblock. A slab "zone" is moving through the simulation grid that simulates local heating.

nano ptcl wall
2D Block Copolymer and Nanoparticle Mixture

2D block copolymer and nanoparticle mixture. The nanocomposite mixture is confined between parallel, flat surfaces.

star abc

ABC Star-copolymer

Monomer density values for an ABC star-copolymer.

neutral pore confine
Linear Diblock Chains with Cylindrical Confinement

3D monomer density isosurfaces for linear diblock chains with cylindrical confinement.

linear diblock

Linear Diblock

Monomer density isosurfaces for a system of phase-segregating 3D linear diblock chains. This image is produced by PSim using embedded VisIt.


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