Simulating chemical reactions on quantum computers

在量子计算机上模拟化学反应

• 批准号: FT230100653
• 负责人: A/Prof Ivan Kassal
• 金额: $ 76.78万
• 依托单位: The University of Sydney
• 依托单位国家: 澳大利亚
• 项目类别: ARC Future Fellowships
• 财政年份: 2024
• 资助国家: 澳大利亚
• 起止时间: 2024-01-01 至 2027-12-31
• 项目状态: 未结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/FT230100653
• 关键词: Simulating; chemical; reactions; quantum; computers

This project aims to enable a new capability for simulating practically relevant chemical dynamics and reactivity in regimes where conventional computational chemistry fails. It expects to do so by generating an extensive toolbox of quantum algorithms that would allow quantum computers to carry out otherwise intractable simulations of a wide range of chemical processes using existing quantum devices. As quantum technology matures, these algorithms should enable quantum computers to accelerate computational screening of new chemical processes in a wide range of fields, enabling faster discovery of, for example, improved catalysts, batteries, medicines, fuels, and solar cells.

该项目旨在实现一种新的能力，用于在常规计算化学失效的情况下模拟实际相关的化学动力学和反应性。它希望通过生成一个广泛的量子算法工具箱来实现这一目标，该工具箱将允许量子计算机使用现有的量子设备对各种化学过程进行难以处理的模拟。随着量子技术的成熟，这些算法应该使量子计算机能够加速计算筛选广泛领域的新化学过程，从而更快地发现改进的催化剂，电池，药物，燃料和太阳能电池。