The First Chemically Accurate Tools in Theoretical Materials Research

理论材料研究中第一个化学精确的工具

• 批准号: DP0665065
• 负责人: Prof Meredith Jordan
• 金额: $ 44.62万
• 依托单位: The University of Sydney
• 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: 2006-01-06 至 2010-12-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP0665065
• 关键词: First; Chemically; Accurate; Tools; Theoretical

Non-metallic materials are widely used in catalytic, separation and sensing applications. This project will create a new, accurate, general and systematic approach to the computational study of non-metallic materials and will provide an enormous step forward in our ability to design these materials for specific applications. With ever increasing demand, growing world population and shrinking natural resources, the benefits of such rational materials design impact on the development of new, safer, more efficient, reusable materials in chemical, engineering, electronic and biological applications.

非金属材料广泛应用于催化、分离和传感应用。该项目将为非金属材料的计算研究创建一种新的、准确的、通用的和系统的方法，并将为我们为特定应用设计这些材料的能力迈出一大步。随着需求的不断增加、世界人口的增长和自然资源的减少，这种合理的材料设计的好处影响着化学、工程、电子和生物应用中新型、更安全、更高效、可重复使用材料的开发。