The DOI matches its Crossref record.
The Computational Materials Repository
Abstract
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.
Overview
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Citations
Cited by
Saal, J. E., Kirklin, S., Aykol, M., Meredig, B., & Wolverton, C. (2013) · JOM · doi:10.1007/s11837-013-0755-4 · Cited by 2,584
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
Kirklin, S., Saal, J. E., Meredig, B., Thompson, A., Doak, J. W., Aykol, M., Rühl, S., & Wolverton, C. (2015) · npj Computational Materials · doi:10.1038/npjcompumats.2015.10 · Cited by 2,378
The high-throughput highway to computational materials design
Curtarolo, S., Hart, G. L. W., Nardelli, M. B., Mingo, N., Sanvito, S., & Levy, O. (2013) · Nature Materials · doi:10.1038/nmat3568 · Cited by 2,053
Ouyang, R., Curtarolo, S., Ahmetcik, E., Scheffler, M., & Ghiringhelli, L. M. (2018) · Physical Review Materials · doi:10.1103/physrevmaterials.2.083802 · Cited by 944
Chen, D., Chen, C., Baiyee, Z. M., Shao, Z., & Ciucci, F. (2015) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00073 · Cited by 936
Metadata
- Authors
- Landis, D. D., Hummelshoj, J. S., Nestorov, S., Greeley, J., Dulak, M., Bligaard, T., Norskov, J. K., & Jacobsen, K. W.
- Venue
- Computing in Science & Engineering
- Published
- 2012-11
- Volume
- 14
- Issue
- 6
- Pages
- 51-57
- ISSN
- 1521-9615 (ISSN-L)
- OpenAlex
- W2027123487
- Cited by
- 223
- References
- 0
- FWCI
- 3.48
- Type
- journal article
- Language
- en
- Open access
- closed
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Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
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How to cite
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- This page
- CoChat. (2026). Citation check: The Computational Materials Repository. https://app.cochat.ai/papers/10.1109/mcse.2012.16
- The paper
- Landis, D. D., Hummelshoj, J. S., Nestorov, S., Greeley, J., Dulak, M., Bligaard, T., Norskov, J. K., & Jacobsen, K. W. (2012). The Computational Materials Repository. Computing in Science & Engineering. https://doi.org/10.1109/mcse.2012.16
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
