软物质中场论模拟方法的应用及展望

熊俊棚; 李昶皓; 李剑锋

doi:10.11777/j.issn1000-3304.2024.24035

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软物质中场论模拟方法的应用及展望

综述 | 更新时间：2024-09-25

- 软物质中场论模拟方法的应用及展望
- Application and Perspectives of Simulation Methods Based on Field Theory in Soft Matter
- 高分子学报 2024年55卷第7期页码：856-871
- 作者机构：
  
  复旦大学高分子科学系聚合物分子工程国家重点实验室上海 200433
- 作者简介：
  
  [ "李剑锋，男，1980年生. 1999~2010年于复旦大学高分子科学系获得学士、硕士、博士学位；2007~2009年在加拿大McMaster大学公派出国留学生；2012~2013年复旦大学高分子系讲师，2013~2019年复旦大学高分子系副教授. 2019年至今，复旦大学高分子系教授，聚合物分子工程国家重点实验室副主任. 主要从事高分子缠结理论，机器学习在高分子物理中的应用，非平衡热力学方法，大脑理论模型构建等方面研究." ]
- 基金信息：
  
  国家自然科学基金(基金号 ┣22373022);52394272┫;国家重点研发计划(2023YFA0915300)
- DOI：10.11777/j.issn1000-3304.2024.24035
  中图分类号：
- 纸质出版日期：2024-07-20，
  
  网络出版日期：2024-04-12，
  
  收稿日期：2024-01-29，
  
  录用日期：2024-03-15
- 稿件说明：
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熊俊棚, 李昶皓, 李剑锋. 软物质中场论模拟方法的应用及展望. 高分子学报, 2024, 55(7), 856-871

Xiong, J. P.; Li, C. H.; Li, J. F. Application and perspectives of simulation methods based on field theory in soft matter. Acta Polymerica Sinica, 2024, 55(7), 856-871
熊俊棚, 李昶皓, 李剑锋. 软物质中场论模拟方法的应用及展望. 高分子学报, 2024, 55(7), 856-871 DOI： 10.11777/j.issn1000-3304.2024.24035.

Xiong, J. P.; Li, C. H.; Li, J. F. Application and perspectives of simulation methods based on field theory in soft matter. Acta Polymerica Sinica, 2024, 55(7), 856-871 DOI： 10.11777/j.issn1000-3304.2024.24035.

摘要

软物质科学是物理、化学和材料科学领域的重要分支. 但软物质系统因其多尺度结构和丰富的动态行为，给研究带来了巨大挑战.而场论模拟方法在应对这些挑战中显示出独特优势，其通过引入连续的场变量，为描述和处理软物质系统中的复杂相互作用提供了一个更加高效和宏观的视角. 本文首先介绍了场论模拟方法的基本原理并阐述了它们在软物质物理上的应用，如蛋白质的HP模型结构预测、高分子链的静态拓扑缠结、化学反应或光反应驱动微观相分离等，接着探讨了深度学习等现代计算技术在软物质研究中的应用. 最后展望了软物质研究领域的未来发展趋势，指出场论方法在软物质物理研究领域仍具有巨大优势.

Abstract

Soft matter science is an important branch in the fields of physics

chemistry

and material science. However

the complexity of soft matter systems

especially their multi-scale structure

s and rich dynamic behaviors

poses significant challenges to researchers. To address these challenges

simulation methods based on field theory demonstrate unique advantages in simulation techniques. By introducing continuous field variables

they provide a more efficient and macroscopic perspective for describing and handling complex interactions in soft matter systems. This article first introduces the basic principles of polymer field theory and elaborates on their applications in soft matter physics

such as the structure prediction of protein HP models

the static topological entanglement problems of polymer chains

chemical reaction/light induced microphase separation

etc

. It then explores the application of modern computational technologies like deep learning in soft matter research

and finally looks forward to the future research trends and developments in the field of soft matter

pointing out that field theory remains a powerful tool for soft matter study.

关键词

软物质场论模拟自洽场理论深度学习

Keywords

Soft matterSimulation methods based on field theorySelf-consistent field theoryDeep learning

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