商红慧


姓  名:

商红慧

地  址:

中国科学技术大学合肥微尺度物质科学国家研究中心

邮  编:

230026

电  话:

0551-63607374

电  邮:




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 教育与科研经历

2002 - 2006

中国科学技术大学,近代物理系,学士

2006 - 2011

中国科学技术大学,物理化学,博士

2011 - 2018

德国马普学会弗里茨-哈伯研究所,理论系,博士后

2018 - 2023

中国科学院计算技术研究所,副研究员

2023 - 至今

中国科学技术大学,合肥微尺度物质科学国家研究中心,特任教授


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 目前研究方向

主要研究兴趣包括结合量子算法、人工智能与高性能计算,发展第一性原理高精度算法和程序,并应用程序进行电子结构的理论模拟,在原子尺度上揭示物质的物理性质和演化行为,发表论文40余篇。带领团队在国产e级超算上成功实现了千万核可扩展的全电子全势第一性原理计算模拟,入围2021年度戈登•贝尔奖。主持国家自然科学基金委员会优秀青年基金项目。


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 代表性论文

1.

honghui shang*#, yi fan#, li shen, chu guo*, jie liu*, xiaohui duan, fang li, and zhenyu li. towards practical and massively parallel quantum computing emulation for quantum chemistry. npj quantum information, 9, 33 (2023).

2.

honghui shang and jinlong yang*. the electron-phonon renormalization in the electronic structure calculation: fundamentals, current status, and challenges. the journal of chemical physics, 158, 130901 (2023).

3.

huan ma, jie liu*, honghui shang*, yi fan, zhenyu li, and jinlong yang*. multiscale quantum algorithms for quantum chemistry. chemical science, 14, 3190 (2023).

4.

honghui shang#*, li shen#, yi fan, zhiqian xu, chu guo*, jie liu*, wenhao zhou, huan ma, rongfen lin, yuling yang, fang li, zhuoya wang, yunquan zhang, and zhenyu li. large-scale simulation of quantum computational chemistry on a new sunway supercomputer. in proceedings of the international conference on high performance computing, networking, storage and analysis, sc '22. ieee.

5.

weijian tao#, leilei zhu#, kanghua li, chao chen, yuzhong chen, yujie li, xufeng li, jiang tang, honghui shang*, and haiming zhu*. coupled electronic and anharmonic structural dynamics for carrier self‐trapping in photovoltaic antimony chalcogenides. advanced science, 9, 2202154 (2022).

6.

honghui shang*, fang li*, yunquan zhang*, libo zhang, you fu, yingxiang gao, yangjun wu, xiaohui duan, rongfen lin, xin liu, ying liu, and dexun chen. extreme-scale ab initio quantum raman spectra simulations on the leadership hpc system in china. in proceedings of the international conference for high performance computing, networking, storage and analysis, sc '21 (gb finalist).

7.

honghui shang#, xin chen#, xingyu gao, rongfen lin*, lifang wang, fang li, qian xiao, lei xu, qiang sun, leilei zhu, fei wang, yunquan zhang*, and haifeng song*. tensorkmc: kinetic monte carlo simulation of 50 trillion atoms driven by deep learning on a new generation of sunway supercomputer. in proceedings of the international conference for high performance computing, networking, storage and analysis, sc '21. acm.

8.

honghui shang*, fang li*, yunquan zhang, ying liu, libo zhang, mingchuan wu, yangjun wu, di wei, huimin cui, xin liu, fei wang, yuxi ye, yingxiang gao, shuang ni, xin chen, and dexun chen. accelerating all-electron ab initio simulation of raman spectra for biological systems. in proceedings of the international conference for high performance computing, networking, storage and analysis, sc '21. acm.

9.

honghui shang, nathaniel raimbault, patrick rinke, matthias scheffler, mariana rossi*, and christian carbogno*. all-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within dft. new journal of physics, 20, 073040 (2018).

10.

honghui shang*, christian carbogno, patrick rinke, and matthias scheffler. lattice dynamics calculations based on density-functional perturbation theory in real space. computer physics communications, 215, 26 (2017).


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