Supramolecular Rip-n-Sew - New Computational Tools for Modelling Supermolecules

超分子 Rip-n-Sew - 超分子建模的新计算工具

• 批准号: DP1094170
• 负责人: Prof Michelle Coote
• 金额: $ 30.62万
• 依托单位: The Australian National University
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2010
• 资助国家: 澳大利亚
• 起止时间: 2010-01-01 至 2012-12-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP1094170
• 关键词: Supramolecular; Rip; Sew; New; Computational

This project will develop new computational tools for predicting the chemical behaviour of large molecular and supramolecular systems with an accuracy and efficiency that has not previously been possible. It will also increase our mechanistic understanding of the principles governing supramolecular assembly in chemical and biological systems. This will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.

该项目将开发新的计算工具，以前所未有的准确性和效率来预测大分子和超分子系统的化学行为。它还将增加我们对化学和生物系统中超分子组装原理的机械理解。 这将节省医疗和农业领域先进材料设计的成本和时间。