Abstract：

　　At present, Moore's Law is gradually failing, and various new computing architectures are emerging one after another. Quantum computing is likely to be a revolutionary technology in the future and has recently exhibited great potentials in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization.  

　　However, quantum computing is in the era of noise intermediate-scale (NISQ), with the number of qubits up to (50-1000), limited coherence time,  and gate fidelity. Progress has been made in simulating small molecules, such as LiH and hydrogen chains of up to 12 qubits, by using quantum algorithms such as variational quantum eigensolver (VQE). Yet, originating from limitations of the size and the fidelity of near-term quantum hardware, how to accurately simulate large realistic molecules remains a challenge.

　　In this talk,  I  will present our work towards the larger scale and realistic chemistry simulation.  Particularly, I will mainly  report two recent works: the quantum embedding simulation, which enables quantum computers to solve challenging systems far beyond the current state of art. In this work, we demonstrate that it is possible to simulate using only 16qubits to simulate 144qubits on C18 system. I will also share the DRIFT inspired quantum imaginary time evolution work which can dramatically reduce the depth of quantum circuit.

　　I will also briefly discuss other theoretical research in quantum chemistry simulation, the experimental realization of mainstream quantum systems, and future research trends and difficulties.  

报告人简介：

　　吕定顺，博士，字节跳动AI Lab实验室，量子计算和量子化学方向研究员。本科就读于哈尔滨工业大学应用物理学专业，2012年毕业后，保送至清华大学交叉信息研究院，师从国际知名离子阱实验专家KihwanKim，从事量子计算和量子模拟方面的研究，至今在量子计算、量子模拟领域等已经有10年研究经验。博士期间，曾在Nature Physics，PRX，Nature Communication，PRL，PRA等国际知名期刊发表论文7篇，Hindex为8，Google论文累计引用大于770次。2018年博士毕业后，入职华为2012实验室，担任量子计算和量子算法研究员，专精并聚焦在量子软件和算法研究领域。在华为工作期间主要聚焦基于变分本征求解（VQE）的量子多体模拟（量子化学模拟，Hubbard model，Schwinger model，Heisenberg model模拟）以及量子近似算法研究（QAOA）。相关主要成果已经在2019和2020届HuaweiConnect大会上发布，并有对应的软件包HiQFermion和HiQOptimizer。2021年4月，入职字节跳动，继续聚焦量子计算和量子化学方向的研究。在公司工作期间，主导完成专利申请10+项，若干通讯作者文章在投。

　　2021年8月，加入CCF量子计算专业组，成为首批执行委员。目前的研究兴趣包括： 量子计算，量子化学， 大规模量子化学模拟，强关联体系模拟等。