The Computational Materials Repository

被引：163

作者：

Landis, David D. ^{[1
]}

Hummelshoj, Jens S. ^{[2
]}

Nestorov, Svetlozar ^{[3
]}

Greeley, Jeff ^{[4
]}

Dulak, Marcin

Bligaard, Thomas ^{[2
]}

Norskov, Jens K. ^{[2
]}

Jacobsen, Karsten W. ^{[5
]}

机构：

[1] Tech Univ Denmark, Ctr Atom Scale Mat Design CAMD, Dept Phys, Lyngby, Denmark

[2] Stanford Univ, Stanford, CA 94305 USA

[3] Univ Chicago, Computat Inst, Chicago, IL 60637 USA

[4] Argonne Natl Lab, Theory & Modeling Grp, Ctr Nanoscale Mat, Argonne, IL 60439 USA

[5] Tech Univ Denmark, CAMD, Lyngby, Denmark

来源：

COMPUTING IN SCIENCE & ENGINEERING | 2012年 / 14卷 / 06期

关键词：

information filtering; information search and retrieval; information storage and retrieval; scientific computing; storage repositories;

D O I：

10.1109/MCSE.2012.16

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

The possibilities for designing new materials based on quantum physics calculations are rapidly growing, but these design efforts lead to a significant increase in the amount of computational data created. The Computational Materials Repository (CMR) addresses this data challenge and provides a software infrastructure that supports the collection, storage, retrieval, analysis, and sharing of data produced by many electronic-structure simulators.

引用

页码：51 / 57

页数：7

共 4 条

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Bahn, SR ;

Jacobsen, KW .

COMPUTING IN SCIENCE & ENGINEERING, 2002, 4 (03) :56-66

[2] Computational screening of perovskite metal oxides for optimal solar light capture [J].

Castelli, Ivano E. ;

Olsen, Thomas ;

Datta, Soumendu ;

Landis, David D. ;

Dahl, Soren ;

Thygesen, Kristian S. ;

Jacobsen, Karsten W. .

ENERGY & ENVIRONMENTAL SCIENCE, 2012, 5 (02) :5814-5819

[3]

Group on Advanced Materials, 2011, MAT GEN IN GLOB COMP

[4] Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project [J].

Hummelshoj, J. S. ;

Landis, D. D. ;

Voss, J. ;

Jiang, T. ;

Tekin, A. ;

Bork, N. ;

Dulak, M. ;

Mortensen, J. J. ;

Adamska, L. ;

Andersin, J. ;

Baran, J. D. ;

Barmparis, G. D. ;

Bell, F. ;

Bezanilla, A. L. ;

Bjork, J. ;

Bjorketun, M. E. ;

Bleken, F. ;

Buchter, F. ;

Burkle, M. ;

Burton, P. D. ;

Buus, B. B. ;

Calborean, A. ;

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Casolo, S. ;

Chandler, B. D. ;

Chi, D. H. ;

Czekaj, I. ;

Datta, S. ;

Datye, A. ;

DeLaRiva, A. ;

Despoja, V. ;

Dobrin, S. ;

Engelund, M. ;

Ferrighi, L. ;

Frondelius, P. ;

Fu, Q. ;

Fuentes, A. ;

Furst, J. ;

Garcia-Fuente, A. ;

Gavnholt, J. ;

Goeke, R. ;

Gudmundsdottir, S. ;

Hammond, K. D. ;

Hansen, H. A. ;

Hibbitts, D. ;

Hobi, E., Jr. ;

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Hruby, S. L. ;

Huth, A. ;

Isaeva, L. .

JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (01)

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