Transformative simulation techniques for complex polymer networks

复杂聚合物网络的变革性模拟技术

• 批准号: DP230100674
• 负责人: Dr Nicholas Beaton
• 金额: $ 28.97万
• 依托单位: The University of Melbourne
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2023
• 资助国家: 澳大利亚
• 起止时间: 2023-07-01 至 2026-06-30
• 项目状态: 未结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP230100674
• 关键词: Transformative; simulation; techniques; complex; polymer

The study of long chain polymers like DNA using computer simulations has uncovered exciting insights over many years. Generally these have been limited to simple topologies, interactions, and environments. This project aims to develop the next generation of simulation techniques to tackle a new frontier of polymer models, including those with complex topologies like stars, knots, and links, which have hitherto been inaccessible. Expected outcomes include new simulation methods which harness modern computational clusters, leading to greater understanding of polymers with complex topologies and in complicated environments. Important elements of biological processes may be discovered, such as how polymer structure affects DNA transcription.

多年来，使用计算机模拟对DNA等长链聚合物的研究已经揭示了令人兴奋的见解。一般来说，这些都局限于简单的拓扑结构、交互和环境。该项目旨在开发下一代模拟技术，以解决聚合物模型的新前沿，包括具有复杂拓扑结构的模型，如星形，节点和链接，这些模型迄今为止还无法访问。预期成果包括利用现代计算集群的新模拟方法，从而更好地了解具有复杂拓扑结构和复杂环境的聚合物。生物过程的重要元素可能会被发现，例如聚合物结构如何影响DNA转录。