Development and implementation of efficient new models for electron correlation

高效电子关联新模型的开发和实施

• 批准号: DP0664466
• 负责人: Prof Peter Gill
• 金额: $ 16.52万
• 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: 2006
• 资助国家: 澳大利亚
• 起止时间: 2006-01-01 至 2009-08-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP0664466
• 关键词: Development; implementation; efficient; new; models

The two new approaches will allow researchers in the chemical, pharmaceutical and materials sciences to predict the physical and chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.

这两种新方法将使化学、制药和材料科学的研究人员能够以以前不可能的准确性和效率预测中等大分子系统的物理和化学行为。由此产生的软件将使在医疗和农业环境中设计先进材料时节省成本和时间。