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10 items by relevance
1 PhD Thesis

Computational Materials Repository

Landis, David

Technical University of Denmark, Center for Atomic-Scale Materials Physics — 2012

, different abstraction levels and enables users to analyze their own results, and allows to share data with collaborators. The approach of the Computational Materials Repository (CMR) is to convert data to an internal format that maintains the original variable names without insisting on any semantics

Year: 2012

Language: English

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2 Journal article

The Computational Materials Repository

Landis, David D.; Hummelshøj, Jens S.; Nestorov, Svetlozar; Greeley, Jeff; Dulak, Marcin; Bligaard, Thomas; et al. (2 more)

Computing in Science and Engineering — 2012, Volume 14, Issue 6, pp. 51-57

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

Year: 2012

Language: English

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3 Journal article

New cubic perovskites for one- and two-photon water splitting using the computational materials repository

Castelli, Ivano Eligio; Landis, David; Thygesen, Kristian Sommer; Dahl, Søren; Chorkendorff, Ib; Jaramillo, Thomas F.; et al. (1 more)

Energy and Environmental Science — 2012, Volume 5, Issue 10, pp. 9034-9043

A new efficient photoelectrochemical cell (PEC) is one of the possible solutions to the energy and climate problems of our time. Such a device requires development of new semiconducting materials with tailored properties with respect to stability and light absorption. Here we perform computational

Year: 2012

Language: English

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