姓名：胡偉(wei)
生日：1983年8月2日，湖北省武漢市
地址：188bet足球東區物質科學(xue)教研樓(lou)B1405室(shi)
電子郵箱：[email protected]
教育經歷
2003.09 – 2007.07 188bet足球 理(li)學(xue)(xue)(xue)學(xue)(xue)(xue)士（物理(li)化(hua)學(xue)(xue)(xue)） 工學(xue)(xue)(xue)學(xue)(xue)(xue)士（計算機科學(xue)(xue)(xue)與(yu)技術）
2007.09 – 2013.12 188bet足球 理學博(bo)士（物理化學）
工作經歷
2014.01 – 2018.02 美國勞倫斯伯克利國家實驗室 博士后
2018.03 – 2022.02 美(mei)國(guo)勞(lao)倫(lun)斯伯(bo)克(ke)利國(guo)家(jia)實驗(yan)室 兼職(zhi)科學家(jia)
2018.03 – 2018.09 188bet足球 特任副研究員
2018.10 – 至今 188bet足球 特(te)任研究員
主要研究興趣
研究領(ling)域為理論與計(ji)算(suan)化學，針對凝(ning)聚相(xiang)復(fu)雜體系(xi)的高精度(du)(du)電子結(jie)構計(ji)算(suan)和(he)動力(li)學模擬，發展了(le)多(duo)種數值算(suan)法以降(jiang)低多(duo)中心積分計(ji)算(suan)的標度(du)(du)和(he)加快自洽場迭代(dai)收斂的速度(du)(du)，同時提(ti)出了(le)相(xiang)應(ying)的高性能并行(xing)計(ji)算(suan)方法。特別(bie)是面向國(guo)產超級計(ji)算(suan)機，開(kai)發了(le)四款第一性原理高性能并行(xing)計(ji)算(suan)軟(ruan)件(jian)（KSSOLV、PWDFT、HONPAS和DGDFT），實(shi)現(xian)了百萬(wan)原子(zi)千(qian)萬(wan)核心(xin)并行(xing)第(di)一性原理(li)(li)(li)計(ji)算(suan)規(gui)模(mo)。而且，通過第(di)一性原理(li)(li)(li)電(dian)子(zi)結構計(ji)算(suan)和動力學(xue)模(mo)擬，提出新(xin)型物理(li)(li)(li)模(mo)擬，結合高通量(liang)計(ji)算(suan)和機器(qi)學(xue)習(xi)逆向(xiang)設計(ji)實(shi)現(xian)復雜(za)體系(xi)多功能(neng)材料計(ji)算(suan)模(mo)擬，同時也與國內外實(shi)驗組(zu)展開(kai)廣泛的合作，解釋實(shi)驗新(xin)現(xian)象，分析本征機制(zhi)，為(wei)實(shi)驗提供(gong)有效(xiao)的理(li)(li)(li)論(lun)保障(zhang)。
主要研究方向
1. 復雜大體系密度泛(fan)函理論計(ji)算
2. 復雜電子結構(gou)計(ji)算和動力學模(mo)擬（Hartree-Fock, TDDFT, GW/BSE, MP2, RPA等）
3. 第(di)一性原理高性能計算軟件開發（KSSOLV，PWDFT，HONPAS和DGDFT）
4. 強(qiang)關聯計(ji)(ji)算和量子計(ji)(ji)算（CCSD，QMC，DMRG，DMET，DMFT， Full CI等）
5. 機(ji)器學(xue)習、深度(du)學(xue)習和神經網絡
6. 高性(xing)能并行計算（CPU-MPI/OpenMP，GPU-CUDA/OpenAcc等）
7. 數值算法（矩陣計算、本征值算法、低秩分(fen)解等）
代表論文
1. Wei Hu#, Hong An*, Zhuoqiang Guo#, Qingcai Jiang#, Xinming Qin#, Junshi Chen, Weile Jia*, Chao Yang, Zhaolong Luo, Jielan Li, Wentiao Wu, Guangming Tan, Dongning Jia, Qinglin Lu, Fangfang Liu, Min Tian, Fang Li, Yeqi Huang, Liyi Wang, Sha Liu, Jinlong Yang*, 2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT, SC’22: Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis 5, 1-13 (2022) [ACM Gordon Bell Finalist]
2. Jiajia Chen, Kai Wu, Wei Hu*, Jinlong Yang*, High-Throughput Inverse Design for 2D Ferroelectric Rashba Semiconductors, Journal of the American Chemical Society, 144, 20035 (2022).
3. Jielan Li, Wei Hu*, and Jinlong Yang*, High-Throughput Screening of Rattling-Induced Ultralow Lattice Thermal Conductivity in Semiconductors, Journal of the American Chemical Society, 144, 4448 (2022).
4. Xiaofeng Liu, Xinming Qin, Xiangyang Li, Zijing Ding, Xingxing Li, Wei Hu*, and Jinlong Yang*, Designing Two-Dimensional Versatile Room-Temperature Ferromagnets via Assembling Large-Scale Magnetic Quantum Dots, Nano Letters, 21, 9816 (2021).
5. Wei Hu, Xinming Qin, Qingcai Jiang, Junshi Chen, Hong An*, Weile Jia, Fang Li, Xin Liu, Dexun Chen, Fangfang Liu, Yuwen Zhao, Jinlong Yang*, High Performance Computing of DGDFT for Tens of Thousands of Atoms using Millions of Cores on Sunway TaihuLight, Science Bulletin, 66, 111 (2021).
6. Kai Wu, Jiajia Chen, Huanhuan Ma, Lingyun Wan, Wei Hu* and Jinlong Yang*, Two-Dimensional Giant Tunable Rashba Semiconductors with Two-Atom-Thick Buckled Honeycomb Structure, Nano Letters, 21, 740 (2020).
7. Wei Hu, Jie Liu*, Yingzhou Li, Zijing Ding, Chao Yang, and Jinlong Yang*, Accelerating Excitation Energy Computation in Molecules and Solids within Linear-Response Time-Dependent Density Functional Theory via Interpolative Separable Density Fitting Decomposition, Journal of Chemical Theory and Computation, 16, 964 (2020).
8. Kun Dong*, Wei Hu*, and Lin Lin*, Interpolative Separable Density Fitting through Centroidal Voronoi Tessellation with Applications to Hybrid Functional Electronic Structure Calculations, Journal of Chemical Theory and Computation, 14, 1311 (2018).
9. Wei Hu*, Lin Lin*, Ruiqi Zhang, Chao Yang*, and Jinlong Yang*, Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons, Journal of the American Chemical Society, 139, 15429 (2017).
10. Wei Hu*, Lin Lin*, Chao Yang*, Jun Dai, and Jinlong Yang*, Edge-Modified Phosphorene Nanoflake Heterojunctions as Highly Efficient Solar Cells, Nano Letters, 16, 1675 (2016).