# Sequence transferable coarse-grained model of amphiphilic copolymer

## TL;DR

This paper develops a transferable coarse-grained model for amphiphilic copolymers that captures their multi-scale behavior and is validated against experimental data, enabling better simulation of complex polymer systems.

## Contribution

A novel segment-based coarse-grained model for amphiphilic copolymers that is transferable across different sequences and consistent with experimental observations.

## Key findings

- Model accurately reproduces global conformational behavior.
- Transferable across various copolymer sequences.
- Aligns well with experimental data.

## Abstract

Polymer properties are inherently multi-scale in nature, where delicate local interaction details play a key role in describing their global conformational behavior. In this context, deriving coarse-grained (CG) multi-scale models for polymeric liquids is a non-trivial task. Further complexities arise when dealing with copolymer systems with varying microscopic sequences, especially when they are of an amphiphilic nature. In this work, we derive a segment-based generic CG model for amphiphilic copolymers consisting of repeat units of hydrophobic (methylene) and hydrophilic (ethylene oxide) monomers. The system is a simulation analogue of polyacetal copolymers [Samanta et al., Macromolecules 49, 1858 (2016)]. The CG model is found to be transferable over a wide range of copolymer sequences and also to be consistent with existing experimental data.