A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

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A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

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A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

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A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

@en

A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

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A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

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A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

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P1476

A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

@en

P2093

Andrea Cepellotti

http://www.w3.org/2001/XMLSchema#string

Nicolas Mounet

http://www.w3.org/2001/XMLSchema#string

P2860

Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

On Computable Numbers, with an Application to the Entscheidungsproblem

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

RFC 1952: GZIP file format specification version 4.3

Reproducible Research in Computational Science

The FAIR Guiding Principles for scientific data management and stewardship

CIF: the computer language of crystallography

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

The Cambridge Structural Database in retrospect and prospect.

iotbx.cif: a comprehensive CIF toolbox

P2888

s13321-017-0242-y

P304

http://www.w3.org/2001/XMLSchema#string

P31

scholarly article

P356

10.1186/S13321-017-0242-Y

http://www.w3.org/2001/XMLSchema#string

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

P577

2017-11-14T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P6179

1092686450

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P698

29138947

http://www.w3.org/2001/XMLSchema#string

P818

1706.08704

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P921

metadata

automation

P932

5686034

http://www.w3.org/2001/XMLSchema#string