高性能计算

2001-08--2006-08   美国Emory University   理学博士
1992-09--1997-08   北京大学   理学学士

   

   

（1） 首届“中国科学院超级计算应用奖”最佳应用奖, 一等奖, 院级, 2013

[1] 马英晋, 李治莹, 刘倩, 金钟. 一种机器学习辅助的负载均衡方法及系统. 202211084633.6, 2022-09-06.
[2] 徐顺, 刘倩, 金钟. 一种软件动态库调试的编译链接方法及系统. CN: CN112579470A, 2021-03-30.
[3] 黄荷, 徐蕴琪, 金钟. 基于容器技术的高通量计算方法及系统. CN: CN111897622A, 2020-11-06.
[4] 马英晋, 马硕, 张宝花, 刘倩, 金钟. 大分子及团簇体系分块计算负载均衡方法及系统. CN: CN111710376A, 2020-09-25.
[5] 马英晋, 马硕, 张宝花, 刘倩, 金钟. 一种分子性质预测方法及系统. CN: CN111710375A, 2020-09-25.
[6] 金钟, 陈建华, 刘倩, 张宝花, 迟学斌. 基于网格的计算化学过程可视化系统及控制方法. CN: CN102609604A, 2012-07-25.
[7] 金钟, 段启智, 刘倩, 张宝花, 迟学斌. 基于网格的计算化学应用整合系统. CN: CN102609246A, 2012-07-25.

   

[1] 张宝花, 任海生, 王静波, 徐江, 李象远, 金钟. 燃烧动力学平台设计. 计算机系统应用[J]. 2022, 31(5): 75-84, http://lib.cqvip.com/Qikan/Article/Detail?id=7107175424.
[2] 王岩, 田英齐, 金钟, 索兵兵. 基于GPU的Hartree-Fock与密度泛函算法及程序. 化学学报[J]. 2021, 79(5): 653-657, http://lib.cqvip.com/Qikan/Article/Detail?id=7105259943.
[3] Ma, Shuo, Ma, Yingjin, Zhang, Baohua, Tian, Yingqi, Jin, Zhong. Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and Cheminformatics. ACS OMEGA[J]. 2021, 6(3): 2001-2024, https://doaj.org/article/6958ca992b9644debab2fab449b14111.
[4] 张宝花, 李辉, 刘倩, 高美娜, 黄荷, 赵毅, 于坤千, 金钟. 超大规模药物虚拟筛选的实现与应用. 计算机科学与探索[J]. 2021, [5] 徐蕴琪, 黄荷, 金钟. 容器技术在科学计算中的应用研究. 计算机科学[J]. 2021, 48(1): 319-325, http://lib.cqvip.com/Qikan/Article/Detail?id=7103774856.
[6] 徐顺, 王武, 张鉴, 姜金荣, 金钟, 迟学斌. 面向异构计算的高性能计算算法与软件. 软件学报[J]. 2021, 32(8): 2365-2376, http://lib.cqvip.com/Qikan/Article/Detail?id=7105477916.
[7] 何连花, 赵莲, 姜金荣, 金钟. 高性能计算数值模拟框架软件研究进展. 数据与计算发展前沿[J]. 2021, 3(6): 108-117, http://lib.cqvip.com/Qikan/Article/Detail?id=7106442107.
[8] 余敏槠, 余晓敏, 王杨, 陈恺心, 单桂华, 金钟. 文献聚类结果可视分析方法研究. 计算机辅助设计与图形学学报[J]. 2020, 32(10): 1645-1654, http://lib.cqvip.com/Qikan/Article/Detail?id=7103001610.
[9] 马英晋, 张坦, 何连花, 金钟. 第一性原理软件北京原子技术模拟工具包的重构进展. 物理学报[J]. 2020, 69(4): 94-101, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CJFQ&dbname=CJFDLAST2020&filename=WLXB202004008&v=MDE0MThNMUZyQ1VSN3FlWnVkdUZ5RG5VNzNKTWlIVGJMRzRITkhNcTQ5RmJJUjhlWDFMdXhZUzdEaDFUM3FUclc=.
[10] Zhang, Baohua, Ma, Yingjin, Jin, Xinsheng, Wang, Ying, Suo, Bingbing, He, Xiao, Jin, Zhong. GridMol2.0: Implementation and application of linear-scale quantum mechanics methods and molecular visualization. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY[J]. 2020, 120(23): http://dx.doi.org/10.1002/qua.26402.
[11] 金钟. Multi-scale simulations on biocompatibility of boron nitride nanomaterials with different curvatures: A comparative study. Applied Surface Science. 2020, [12] Luo, Min, Yu, Yi, Jin, Zhong, Dong, Huilong, Li, Youyong. Multi-scale simulations on biocompatibility of boron nitride nanomaterials with different curvatures: A comparative study. APPLIED SURFACE SCIENCE[J]. 2020, 517: http://dx.doi.org/10.1016/j.apsusc.2020.146181.
[13] Liu, Tingfeng, Jin, Zhong, Liu, DongXin, Du, Chunmiao, Wang, Lu, Lin, Haiping, Li, Youyong. A density functional theory study of high-performance pre-lithiated MS2 (M=Mo, W, V) Monolayers as the Anode Material of Lithium Ion Batteries. SCIENTIFIC REPORTS[J]. 2020, 10(1): http://dx.doi.org/10.1038/s41598-020-63743-9.
[14] Ma YingJin, Zhang Tan, He LianHua, Jin Zhong. Progress of refactoring first principle package of Beijing Simulation Tool for Atom TEchnology. ACTA PHYSICA SINICA[J]. 2020, 69(4): http://dx.doi.org/10.7498/aps.69.20191658.
[15] 贺雨晴, 蒋毅, 张田田, 黄荷, 方辰, 金钟. SymTopo:An automatic tool for calculating topological properties of nonmagnetic crystalline materials. 中国物理B:英文版[J]. 2019, 28(8): 294-305, http://lib.cqvip.com/Qikan/Article/Detail?id=7002765360.
[16] 金钟, 陆忠华, 李会元, 迟学斌, 孙家昶. 高性能计算之源起——科学计算的应用现状及发展思考. 中国科学院院刊[J]. 2019, 625-639, http://lib.cqvip.com/Qikan/Article/Detail?id=75898988504849574854484854.
[17] Ma, Jie, Chen, Tao, Wu, Songfeng, Yang, Chunyuan, Bai, Mingze, Shu, Kunxian, Li, Kenli, Zhang, Guoqing, Jin, Zhong, He, Fuchu, Hermjakob, Henning, Zhu, Yunping. iProX: an integrated proteome resource. NUCLEIC ACIDS RESEARCH[J]. 2019, 47(D1): D1211-D1217, http://www.corc.org.cn/handle/1471x/2374258.
[18] Shen, Xiaofei, Zhao, Lin, Chen, Peihao, Gong, Yanqiu, Liu, Dingdong, Zhang, Xia, Dai, Lunzhi, Sun, Qingxiang, Lou, Jizhong, Jin, Zhong, Zhang, Baohua, Niu, Dawen, Chen, Ceshi, Qi, Xiangbing, Jia, Da. A thiazole-derived oridonin analogue exhibits antitumor activity by directly and allosterically inhibiting STAT3. JOURNAL OF BIOLOGICAL CHEMISTRY[J]. 2019, 294(46): 17471-17486, http://dx.doi.org/10.1074/jbc.RA119.009801.
[19] Xiaofei Shen, Lin Zhao, Peihao Chen, Yanqiu Gong, Dingdong Liu, Xia Zhang, Lunzhi Dai, Qingxiang Sun, Jizhong Lou, Zhong Jin, Baohua Zhang, Dawen Niu, Ceshi Chen, Xiangbing Qi, Da Jia. A thiazole-derived oridonin analogue exhibits antitumor activity by directly and allosterically inhibiting STAT3. THE JOURNAL OF BIOLOGICAL CHEMISTRY. 2019, 294(46): 17471-17486, http://dx.doi.org/10.1074/jbc.RA119.009801.
[20] He, Yuqing, Jiang, Yi, Zhang, Tiantian, Huang, He, Fang, Chen, Jin, Zhong. SymTopo: An automatic tool for calculating topological properties of nonmagnetic crystalline materials. CHINESE PHYSICS B[J]. 2019, 28(8): http://lib.cqvip.com/Qikan/Article/Detail?id=7002765360.
[21] Chen, Xinyu, Zhang, Yadong, Zhang, Zhewen, Zhao, Yongbing, Sun, Chen, Yang, Ming, Wang, Jinyue, Liu, Qian, Zhang, Baohua, Chen, Meili, Yu, Jun, Wu, Jiayan, Jin, Zhong, Xiao, Jingfa. PGAweb: A Web Server for Bacterial Pan-Genome Analysis. FRONTIERS IN MICROBIOLOGY[J]. 2018, 9: http://www.corc.org.cn/handle/1471x/2374278.
[22] 田英齐, 马英晋, 索兵兵, 金钟. 异构计算量子化学软件的研发恰逢其时. 中国科学基金[J]. 2018, 32(1): 109-117, http://lib.cqvip.com/Qikan/Article/Detail?id=674403043.
[23] 张帅, 徐顺, 刘倩, 金钟. 基于GPU的分子动力学模拟Cell Verlet算法实现及其并行性能分析. 计算机科学[J]. 2018, 45(10): 291-294,299, http://lib.cqvip.com/Qikan/Article/Detail?id=7000864086.
[24] Tian Yingqi, Suo Bingbing, Ma Yingjin, Jin Zhong, Assoc Comp Machinery. Optimizing Two-Electron Repulsion Integral Calculation on Knights Landing Architecture. HPC ASIA'18: PROCEEDINGS OF WORKSHOPS OF HPC ASIAnull. 2018, 48-51, http://dx.doi.org/10.1145/3176364.3176371.
[25] 徐顺, 刘倩, 张宝花, 何连花, 金钟. 基于Intel MIC平台大规模耗散粒子动力学模拟的设计与优化. 计算机工程与科学[J]. 2017, 39(8): 1391-1396, http://lib.cqvip.com/Qikan/Article/Detail?id=673055998.
[26] 金钟. 小分子配体模拟水分子： 计算模拟相同配体与不同蛋白之间的作用模式. 科研信息化应用. 2017, [27] 金钟. 基于云服务的计算化学社区. 科研信息化应用. 2016, [28] 金钟, 刘倩, 肖景发, 于坤千. 计算预知未来——基于国家高性能计算环境的生物医药应用服务社区. 科研信息化技术与应用. 2016, 89-92, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CJFQ&dbname=CJFDLAST2017&filename=KYXH201604012&v=MjE0MDU3cWZiK1ptRnluZ1c3M0JMalRUWnJHNEg5Zk1xNDlFWm9SOGVYMUx1eFlTN0RoMVQzcVRyV00xRnJDVVI=.
[29] 金钟. 一种生物大分子自动分片程序设计技术. 科研信息化应用. 2016, [30] Chen, Jingyi, Jin, Zhong, Yang, Keda. Three-dimensional numerical simulation of viscoelastic phase separation under shear: the roles of bulk and shear relaxation moduli. CHINESE JOURNAL OF POLYMER SCIENCE[J]. 2015, 33(11): 1562-1573, http://www.corc.org.cn/handle/1471x/2374165.
[31] Sun, Yeping, Liu, Qian. Differential structural dynamics and antigenicity of two similar influenza H5N1 virus HA-specific HLA-A*0201-restricted CLT epitopes. RSC ADVANCES[J]. 2015, 5(3): 2318-2327, https://www.webofscience.com/wos/woscc/full-record/WOS:000346189100093.
[32] Zhang, Baohua, Wei, Fan, Wu, Qian, Piao, Lingyu, Liu, Min, Jin, Zhong. Formation and Evolution of the High-Surface-Energy Facets of Anatase TiO2. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2015, 119(11): 6094-6100, http://dx.doi.org/10.1021/acs.jpcc.5b00087.
[33] 刘倩, 金钟, 曹荣强. 基于云平台的计算化学科学计算云服务社区. 第十七届全国科学计算与信息化会议暨智慧科研论坛null. 2015, http://ir.ihep.ac.cn/handle/311005/211439.
[34] Sun, Yeping, Liu, Qian, Jin, Zhong. Differential structural dynamics and antigenicity of two similar influenza H5N1 virus HA-specific HLA-A*0201-restricted CLT epitopes (vol 5, pg 2318, 2015). RSC ADVANCESnull. 2015, 5(9): 6742-6742, https://www.webofscience.com/wos/woscc/full-record/WOS:000347410600066.
[35] Ling, Yunchao, Jin, Zhong, Su, Mingming, Zhong, Jun, Zhao, Yongbing, Yu, Jun, Wu, Jiayan, Xiao, Jingfa. VCGDB: a dynamic genome database of the Chinese population. BMC GENOMICS[J]. 2014, 15(1): http://www.corc.org.cn/handle/1471x/2374155.
[36] Zhang, Zaichao, Jin, Zhong, Zhao, Yongbing, Zhang, Zhewen, Li, Rujiao, Xiao, Jingfa, Wu, Jiayan. Systematic study on G-protein couple receptor prototypes: did they really evolve from prokaryotic genes?. IET SYSTEMS BIOLOGY[J]. 2014, 8(4): 154-161, http://dx.doi.org/10.1049/iet-syb.2013.0037.
[37] Jin, Zhong, Han, Keli. International Conference on Theoretical and High-Performance Computational Chemistry. JOURNAL OF PHYSICAL CHEMISTRY A. 2014, 118(39): 8889-8892, http://cas-ir.dicp.ac.cn/handle/321008/145549.
[38] Fu, Ting, Jin, Zhong, Xiu, Zhilong, Li, Guohui. Binding Free Energy Estimation for Protein-Ligand Complex Based on MM-PBSA with Various Partial Charge Models. CURRENT PHARMACEUTICAL DESIGN[J]. 2013, 19(12): 2293-2307, http://159.226.238.44/handle/321008/137724.
[39] Bu, Jingde, Chi, Xuebin, Jin, Zhong. HSA: A Heuristic Splice Alignment Tool. BMC SYSTEMS BIOLOGY[J]. 2013, 7(Suppl 2): S10-S10, http://www.corc.org.cn/handle/1471x/2374156.
[40] Wu, Xue, Jin, Zhong, Xiu, Zhilong, Li, Guohui. The Challenge to the Rule of Homology Modeling: Folding Mechanism Study of Protein G(A) and G(B) with High Sequence Identity but Different Native Structures. CURRENT PHARMACEUTICAL DESIGN[J]. 2013, 19(12): 2282-2292, http://159.226.238.44/handle/321008/137799.
[41] 吴佳妍. BAsplice: Bi-direction Alignment for detecting splice junctions. 2012 IEEE 6th International Conference on Systems Biology. 2012, [42] 陈建华, 段启智, 金钟, 刘倩, 张宝花, 迟学斌. 基于网格的计算化学过程可视化. 计算机应用研究[J]. 2012, 29(2): 432-434, http://lib.cqvip.com/Qikan/Article/Detail?id=40710034.
[43] 底杏杏, 陈建华, 刘倩, 金钟. 基于GridMol的等密度图算法实现与应用. 科研信息化技术与应用：中英文[J]. 2012, 3(5): 55-60, http://lib.cqvip.com/Qikan/Article/Detail?id=44558900.
[44] Dongarra, Jack, Beckman, Pete, Moore, Terry, Aerts, Patrick, Aloisio, Giovanni, Andre, JeanClaude, Barkai, David, Berthou, JeanYves, Boku, Taisuke, Braunschweig, Bertrand, Cappello, Franck, Chapman, Barbara, Chi, Xuebin, Choudhary, Alok, Dosanjh, Sudip, Dunning, Thom, Fiore, Sandro, Geist, Al, Gropp, Bill, Harrison, Robert, Hereld, Mark, Heroux, Michael, Hoisie, Adolfy, Hotta, Koh, Jin, Zhong, Ishikawa, Yutaka, Johnson, Fred, Kale, Sanjay, Kenway, Richard, Keyes, David, Kramer, Bill, Labarta, Jesus, Lichnewsky, Alain, Lippert, Thomas, Lucas, Bob, Maccabe, Barney, Matsuoka, Satoshi, Messina, Paul, Michielse, Peter, Mohr, Bernd, Mueller, Matthias S, Nagel, Wolfgang E, Nakashima, Hiroshi, Papka, Michael E, Reed, Dan, Sato, Mitsuhisa, Seidel, Ed, Shalf, John, Skinner, David, Snir, Marc, Sterling, Thomas, Stevens, Rick, Streitz, Fred, Sugar, Bob, Sumimoto, Shinji, Tang, William, Taylor, John, Thakur, Rajeev, Trefethen, Anne, Valero, Mateo, van der Steen, Aad, Vetter, Jeffrey, Williams, Peg, Wisniewski, Robert, Yelick, Kathy. The International Exascale Software Project roadmap. INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS[J]. 2011, 25(1): 3-60, http://dx.doi.org/10.1177/1094342010391989.
[45] 金钟. 基于网格的计算化学应用整合系统. 华中科技大学学报. 2011, [46] 金钟. 基于深腾7000的NAMD千核性能分析. 科研信息化技术与应用. 2011, [47] 金钟. 基于CNGrid的GridMol中作业管理器的设计与实现. 计算机应用研究. 2011, [48] Yan Liu, Jianpei Geng, Zhong Jin, Fujian Zong. The rate constants of the H + FO reaction and its isotope variant on two electronic states. CHEMICAL PHYSICS. 2011, 385(1): 11-18, http://dx.doi.org/10.1016/j.chemphys.2011.01.010.
[49] Liu, Yan, Geng, Jianpei, Jin, Zhong, Zong, Fujian. The rate constants of the H plus FO reaction and its isotope variant on two electronic states. CHEMICAL PHYSICS[J]. 2011, 385(1-3): 11-18, http://www.corc.org.cn/handle/1471x/2374132.
[50] 张宝花, 李国辉, 魏帆, 刘倩, 金钟, 迟学斌. NWCHEM软件在生物体系中的应用. 科研信息化技术与应用：中英文[J]. 2011, 2(6): 113-119, http://lib.cqvip.com/Qikan/Article/Detail?id=41017368.
[51] 金钟. An Integrated and Grid Based Solution of Chemical Application. International Conference of Information Computation and Applications 2010. 2010, [52] 欧阳刘彬, 孙衍华, 刘继凤, 金钟, 陆忠华, 迟学斌. GridMol系统中蛋白质可视化与建模的性能优化. 计算机工程[J]. 2009, 35(20): 242-245, http://lib.cqvip.com/Qikan/Article/Detail?id=31855982.
[53] 金钟. GridMol系统中蛋白质显示与建模的性能优化. 计算机工程. 2009, [54] Sun, Yanhua, Shen, Bin, Lu, Zhonghua, Jin, Zhong, Chi, Xuebin. GridMol: a grid application for molecular modeling and visualization. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN[J]. 2008, 22(2): 119-129, http://www.corc.org.cn/handle/1471x/2374107.
[55] Christoffel, Kurt M, Jin, Zhong, Braams, Bastiaan J, Bowman, Joel M. Quasiclassical trajectory study of the CH3++HD -> CH2D++H-2 Reaction. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2007, 111(29): 6658-6664, https://www.webofscience.com/wos/woscc/full-record/WOS:000248121400011.
[56] 孙衍华, 刘继凤, 汪文英, 金钟, 陆忠华, 迟学斌. GridMol：基于网格的分子可视化建模应用系统. 微电子学与计算机[J]. 2007, 24(9): 52-55, http://lib.cqvip.com/Qikan/Article/Detail?id=25375339.
[57] Jin, Z, Braams, BJ, Bowman, JM. An ab initio based global potential energy surface describing CH5+ -> CH3++H-2. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2006, 110(4): 1569-1574, https://www.webofscience.com/wos/woscc/full-record/WOS:000235198100039.
[58] 金钟. SMP集群系统上可扩展并行特征问题求解器的研究．. 数值计算与计算机应用[J]. 2006, http://ircnic.ac.cn/handle/311056/631.

（1） 《高性能计算应用概览》第3章 高性能计算应用之生物学研究, 清华大学出版社, 2018-06, 第 1 作者

已指导学生

卜景德  02  19581  

万波  02  19261  

王今晨  02  19261  

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现指导学生

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