Computational design of high-temperature lanthanide-based molecular magnets

高温镧系分子磁体的计算设计

• 批准号: FT180100519
• 负责人: A/Prof Alessandro Soncini
• 金额: $ 47.53万
• 依托单位: The University of Melbourne
• 依托单位国家: 澳大利亚
• 项目类别: ARC Future Fellowships
• 财政年份: 2018
• 资助国家: 澳大利亚
• 起止时间: 2018-11-08 至 2022-06-17
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/FT180100519
• 关键词: Computational; design; temperature; lanthanide; based

This project aims to improve our knowledge of special molecules pivotal to develop enhanced computer memories, namely Lanthanide Single-Molecule Magnets. The development of faster and more energy-efficient computers crucially depends on increasing their data storage capacity. Harnessing single molecules as tiny magnetic needles to store information is the next fundamental step. Recent findings have seen breakthroughs towards the development of a commercially viable molecular computer. This project will develop ab-initio computational methods for the systematic rational design of high-temperature lanthanide-based single-molecule magnet materials.

该项目旨在提高我们对特殊分子的认识，这些分子对开发增强型计算机存储器至关重要，即镧系单分子磁体。更快、更节能的计算机的发展关键取决于其数据存储容量的增加。利用单个分子作为微小的磁针来存储信息是下一个基本步骤。最近的发现在商业上可行的分子计算机的发展方面取得了突破。本项目将为高温镧系单分子磁体材料的系统合理设计开发从头算方法。