Theoretical Chemistry

理论化学

• 批准号: CRC-2018-00094
• 负责人: Segal, Dvira
• 金额: $ 7.29万
• 依托单位: University of Toronto
• 依托单位国家: 加拿大
• 项目类别: Canada Research Chairs
• 财政年份: 2021
• 资助国家: 加拿大
• 起止时间: 2021-01-01 至 2022-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=730364
• 关键词: Theoretical; Chemistry

Quantum thermodynamics is a fundamental scientific endeavor that aims to consolidate quantum mechanics, nonequilibrium statistical mechanics and thermodynamics, and establish principles for quantum heat machines. The objective of this program is to address fundamental questions and applied challenges in energy management at the nanoscale. We will develop complementary, rigorous theoretical and computational methods that can describe quantum energy flow in complex systems far from equilibrium. We will explore design principles for heat engines and refrigerators utilizing quantum coherent effects, and explore a broad range of applications, including vibrational heat flow in biomolecules and electronic-to-optical energy exchange in hybrid light-matter devices.

量子热力学是一项基础性的科学工作，旨在巩固量子力学、非平衡统计力学和热力学，并建立量子热机的原理。该计划的目标是解决纳米级能源管理中的基本问题和应用挑战。我们将发展互补的、严格的理论和计算方法，能够描述远离平衡的复杂系统中的量子能量流动。我们将探索利用量子相干效应的热机和冰箱的设计原理，并探索广泛的应用，包括生物分子中的振动热流和混合光器件中的电光能量交换。