论文标题
高能物理材料量子机械计算的计算需求
Computational needs of quantum mechanical calculations of materials for high-energy physics
论文作者
论文摘要
在高能物理学（HEP）实验中寻找新物理学通常依赖于与材料的相互作用。迅速发展的方向是用于HEP应用的材料的准确计算和设计。在这种雪人贡献中，我短暂地激发了科学对HEP材料的量子机械计算的需求，并概述了该计算可以解决的问题范围。有了这些信息，我评估了HEP中AB始于计算的计算需求，最先进方法所使用的特定计算资源和工作流程，并最终确定了有希望的未来方向，例如使用机器学习和强烈的量子机械计算，转向量子计算机上的材料计算。
Searches for new physics in high-energy physics (HEP) experiments commonly rely on interactions with materials. A burgeoning direction is the accurate calculation and design of materials for HEP applications. In this Snowmass contribution, I briefly motivate the science need for quantum mechanical calculations of materials for HEP and outline the range of questions that such calculations can address. With this information, I assess the computational needs for ab initio calculations in HEP, the specific computational resources and workflows used by state-of-the-art methods, and finally identify promising future directions such as the use of machine learning and strongly-correlated quantum mechanical calculations moving towards materials calculations on quantum computers.
