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Application and Perspectives of Simulation Methods Based on Field Theory in Soft Matter
- Acta Polymerica Sinica Pages: 1-16(2024)
- 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：
- 基金信息：
DOI：10.11777/j.issn1000-3304.2024.24035
CLC：-
Published Online：18 April 2024，
Received：29 January 2024，
Accepted：15 March 2024
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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, 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, 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 structures 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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