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An object-oriented framework that simulates phase morphologies of dense block copolymers melt systems.

psim overview imagePSim quickly solves the numerical self-consistent field theory (SCFT) equations for modeling copolymers.

The SCFT algorithm is rigorous method for coarse-graining models of complex block copolymer mixtures such that sufficient detail is retained to describe the novel morphologies these materials form when they undergo phase segregation. This coarse-graining procedure allows researchers to study block copolymer structure in simulations that can run much faster than more explicit methods such as classical all-atom molecular dynamics.

PSim's built-in three-dimensional visualization capability, multi-platform availability (Linux, Mac OS X, and Windows), and examples will get you up and running quickly.

Examples and documentation (PSim Installation, PSim Quick Start, PSim In Depth, and PSim Reference Manual) for PSim reduce your learning curve and ensure faster results.

PSim Supports

  • Fully flexible chain model
  • Neutral, dense polymer melts
  • Flory-type interactions
  • Pseudo-spectral solution methods
  • Hybrid-SCFT
  • Arbitrary confinement

PSim Simulates

  • Multi-block Copolymer mixtures
  • Confined Copolymers
  • Nanocomposites


Questions? Contact us.



Left: A large team, including PSim users at ORNL, published a paper in Journal of Polymer Physics Part B that is featured on the cover of the 15 November 2018 issue. Simulation results produced in PSim, which uses Tech-X's PolySwift++ computational engine, are displayed on the cover in the background and the figure at the lower right.

Chernyy, Sergey, Jyoti P. Mahalik, Rajeev Kumar, Jacob Judas Kain Kirkensgaard, Matthias ML Arras, Hyeyoung Kim, Lars Schulte et al. "On the morphological behavior of ABC miktoarm stars containing poly (cis 1, 4‐isoprene), poly (styrene), and poly (2‐vinylpyridine)." Journal of Polymer Science Part B: Polymer Physics 56, no. 22 (2018): 1491-1504. https://doi.org/10.1002/polb.24733

PSim allows us to spend more time thinking about physics and less time thinking about coding, and it's efficient and easy to use."

—Professor Lisa M. Hall, Ohio State University


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.



Copolymers in a Cylindrical Pore

Simulation from the self-consistent field theory (SCFT) code PSim. This simulation shows the effects of confinement on the phase-segregated morphologies for diblock copolymers.



psim overview imagePSim
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PSim packages provide you with a diverse range of relevant examples, macros and the powerful graphical user interface to the simulation engine, together with embedded analysis tools. Functionality is collected in common packages to provide the pricing flexibility and convenience you want.

Request a free PSim Evaluation or contact Tech-X Sales for a quote.

Product Datasheets

PSim Product Brochure




Latest PSim Documentation

Downloadable documentation is available in PDF format:

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