Ensuring structural fidelity of generated polymers with PoGE

Molecular Systems Design & Engineering 2026

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Authors: Ivan Bespalov, Ivan Zlobin, Mark Yu. Schneider, Gleb Averochkin, Eugeny Alexandrov
DOI: 10.1039/d6me00054a
Cited by: 1
References: 35

Abstract

The computational design of polymers with target macroscopic properties is frequently limited by the tendency of generative models to produce structures that deviate from experimental reality.

Fields of Study & Subjects

Polymer crystallization and properties Polymer composites and self-healing Advanced Physical and Chemical Molecular Interactions

Publication details

Journal / source
Molecular Systems Design & Engineering
Publisher
Royal Society of Chemistry (RSC)
Volume
11
Issue
7
Pages
661–669
Publication date
1 January 2026
Language
EN