Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Effects of Solvent Entropy on Homopolymer Cononsolvency in Binary Solvent Mixtures Predicted by Flory-Huggins Theory.

ACS macro letters·2026
Same author

A Unified Computational Framework for Polymer Self-Consistent Field and Density-Functional Theories.

Journal of chemical theory and computation·2025
Same author

SLC35A2-mediated bisected GlcNAc-modified extracellular vesicles enhance immune regulation in breast cancer lung metastasis.

International immunopharmacology·2025
Same author

Frank-Kasper Phases of Diblock Copolymer Melts: Self-Consistent Field Results of Two Commonly Used Models.

Polymers·2024
Same author

CDKN2A was a cuproptosis-related gene in regulating chemotherapy resistance by the MAGE-A family in breast cancer: based on artificial intelligence (AI)-constructed pan-cancer risk model.

Aging·2023
Same author

Correlations in Hard- and Soft-Core Generic Polymer Models.

Polymers·2023
Same journal

Analytic Nuclear Gradients Including Oriented External Electric Fields in a Molecule-Fixed Frame.

Journal of chemical theory and computation·2026
Same journal

Knowledge Distillation of a Protein Language Model Yields a Foundational Implicit Solvent Model.

Journal of chemical theory and computation·2026
Same journal

Generalizable Protein Folding Pathway Exploration with DA2-GRASP: Extending Beyond Miniproteins.

Journal of chemical theory and computation·2026
Same journal

Improving PCM in Protic Media: Markov State Models for TD-DFT Calculations.

Journal of chemical theory and computation·2026
Same journal

Efficient Coupled-Cluster Python Frameworks for Next-Generation GPUs: A Comparative Study of CuPy and PyTorch on the Hopper and Grace Hopper Architecture.

Journal of chemical theory and computation·2026
Same journal

Extending the MARTINI 3 Coarse-Grained Force Field to Polypeptoids.

Journal of chemical theory and computation·2026
See all related articles

Related Experiment Video

Updated: Jan 17, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.3K

PSCF+: An Extended and Improved Open-Source Software Package for Polymer Self-Consistent Field Calculations.

Juntong He1, Qiang Wang1

  • 1School of Biomedical and Chemical Engineering, Colorado State University 1378 Campus Delivery, Fort Collins, Colorado 80523-1376, United States.

Journal of Chemical Theory and Computation
|September 15, 2025
PubMed
Summary
This summary is machine-generated.

PSCF+ is a new open-source software package that enhances polymer self-consistent field (SCF) calculations for block copolymer self-assembly. It offers greater flexibility and efficiency, enabling direct comparisons with other simulation methods.

More Related Videos

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

615
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.7K

Related Experiment Videos

Last Updated: Jan 17, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.3K
Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

615
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.7K

Area of Science:

  • Polymer Science
  • Computational Chemistry
  • Materials Science

Background:

  • Block copolymers exhibit complex self-assembly behaviors crucial for advanced materials.
  • Accurate theoretical modeling is essential for predicting and controlling these structures.
  • Existing self-consistent field (SCF) methods can be computationally intensive and limited in scope.

Purpose of the Study:

  • Introduce PSCF+, an extended and improved open-source software package for polymer SCF calculations.
  • Enhance the capabilities and efficiency of block copolymer self-assembly simulations.
  • Facilitate direct comparisons between field-theoretic and molecular simulations.

Main Methods:

  • Implemented various chain models (Gaussian, discrete Gaussian, freely jointed) and interaction potentials.
  • Utilized advanced algorithms: Richardson-extrapolated pseudospectral methods, crystallographic discrete cosine transforms, and a "slice" algorithm.
  • Incorporated automated calculation along a path for free-energy curves and phase boundaries.

Main Results:

  • PSCF+ supports diverse chain models, repulsions, and system compressibility for versatile simulations.
  • New algorithms significantly reduce GPU memory usage and accelerate SCF calculations.
  • The software enables parameter-free comparisons with molecular and field-theoretic simulations.

Conclusions:

  • PSCF+ provides a powerful, flexible, and efficient platform for simulating block copolymer self-assembly.
  • The open-source package facilitates broader research in polymer physics and materials design.
  • Future extensions will expand its applicability to more complex polymeric systems.