一个高可用的高通量材料计算任务管理系统

  本文关键词：材料基因组框架下的材料集成设计及信息平台初探，由笔耕文化传播整理发布。

[1] 尹海清, 曲选辉, 谢建新. 材料基因组计划在北京地区的实施与发展分析[J]. 新材料产业, 2014(1):27-29.

[2] Yang X, Wallom D, Waddington S, et al. Cloud computing in e-Science:research challenges and opportunities[J]. The Journal of Supercomputing, 2014, 70(1):408-464.

[3] 王卓, 杨小渝, 郑宇飞, 等. 材料基因组框架下的材料集成设计及信息平台初探[J]. 科学通报, 2013, 58(35):3733-3742.

[4] E.A. Carter. Challenges in modeling materials properties without experimental input[J]. Science, 2008, 321(5890):800-803

[5] John R R. What is material informatics, Materials Informatics-Effective Data Management for New Materials Discovery[J]. 1999.

[6] 赵继成. 材料基因组计划简介[J]. 自然杂志, 2014, 36(2):89-104.

[7] Curtarolo S, Setyawan W, Hart G L W, et al. AFLOW:an automatic framework for high-throughput materials discovery[J]. Computational Materials Science, 2012, 58:218-226.

[8] Jain A, Ong S P, Hautier G, et al. Commentary:The Materials Project:A materials genome approach to accelerating materials innovation[J]. APL Materials, 2013, 1(1):011002.

[9] Ong S P, Richards W D, Jain A, et al. Python Materials Genomics(pymatgen):A robust, open-source python library for materials analysis[J]. Computational Materials Science, 2013, 68:314-319.

[10] Jain A, Ong S P, Chen W, et al. FireWorks:a dynamic workflow system designed for high-throughput applications[J]. Concurrency and Computation:Practice and Experience, 2015.

[11] Bahn S R, Jacobsen K W. An object-oriented scripting interface to a legacy electronic structure code[J]. Computing in Science & Engineering, 2002, 4(3):56-66.

[12] 王幸阳, 杨小渝, 迟学斌. 一种计算材料数据库系统[J]. 科研信息化技术与应用, 2015, 6(1):12-17.

[13] Gunter D, Cholia S, Jain A, et al. Community accessible datastore of high-throughput calculations:experiences from the Materials Project[C].High Performance Computing, Networking, Storage and Analysis(SCC), 2012 SC Companion:. IEEE, 2012:1244-1251.

[14] 赵毅, 朱鹏, 迟学斌, 等. 浅析高性能计算应用的需求与发展[J]. 计算机研究与发展, 2015, 44(10):1640-1646.

  本文关键词：材料基因组框架下的材料集成设计及信息平台初探，，由笔耕文化传播整理发布。