ArticleThe European physical journal. E, Soft matter2020
Open-source code for self-consistent field theory calculations of block polymer phase behavior on graphics processing units.
Article in The European physical journal. E, Soft matter, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Review of Directed Self-Assembly Material, Processing, and Application in Advanced Lithography and Patterning.Micromachines · 2025Review
- Coacervation drives morphological diversity of mRNA encapsulating nanoparticles.The Journal of chemical physics · 2025Article
- Lattice-Cluster-Theory-Informed Cross-Fractionation Chromatography Revealing Degree of Crystallinity of Single Macromolecular Species.ACS macro letters · 2024Article
- Predicting compatibilized polymer blend toughness.Science advances · 2024Article
- Article
- Open-source platform for block polymer formulation design using particle swarm optimization.The European physical journal. E, Soft matter · 2021Article
- Field-Theoretic Simulations for Block Copolymer Melts Using the Partial Saddle-Point Approximation.Polymers · 2021Review
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Authors and funding
4 authors.
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Abstract
Self-consistent field theory (SCFT) is a powerful approach for computing the phase behavior of block polymers. We describe a fast version of the open-source Polymer Self-Consistent Field (PSCF) code that takes advantage of the massive parallelization provided by a graphical processing unit (GPU). Benchmarking double-precision calculations indicate up to 30× reduction in time to converge SCFT calculations of various diblock copolymer phases when compared to the Fortran CPU version of PSCF using the same algorithms, with the speed-up increasing with increasing unit cell size for the diblock polymer problems examined here. Where double-precision accuracy is not needed, single-precision calculations can provide speed-up of up to 60× in convergence time. These improvements in speed within an open-source format open up new vistas for SCFT-driven block polymer materials discovery by the community at large.
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