DOI: 10.1021/acs.jpcb.7b05296. Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods

Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods

10.1021/acs.jpcb.7b05296

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry B (316)

Bibliography

Legrain, F., Carrete, J., van Roekeghem, A., Madsen, G. K. H., & Mingo, N. (2017). Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods. The Journal of Physical Chemistry B, 122(2), 625â632.

Authors 5

Fleur Legrain (first)
Jesús Carrete (additional)
Ambroise van Roekeghem (additional)
Georg K.H. Madsen (additional)
Natalio Mingo (additional)

References 32 Referenced 93

10.1088/0268-1242/27/6/063001
10.1103/PhysRevB.91.094107
10.1038/ncomms11993
10.1126/sciadv.1500242
10.1038/nmat2771
10.1063/1.4917387
10.1126/sciadv.1602241
10.1103/PhysRevB.95.024411
10.1103/PhysRevX.4.011019
10.1038/natrevmats.2016.32
10.1016/j.mattod.2013.09.015
10.1002/aenm.201500588
10.1002/pssb.201552674
10.1002/adfm.201102546
10.1103/PhysRevX.6.041061
10.1038/ncomms12315
10.1063/1.4902865
10.1039/C6TC04259G
10.1021/acs.chemmater.6b02724
10.1103/PhysRevB.85.115104
Zunger, A.Private communication.
10.1038/nchem.2207
10.1103/PhysRevB.95.144110
10.1016/j.commatsci.2012.02.005
10.1016/j.commatsci.2015.07.019
10.1016/j.commatsci.2014.05.014
Villars, P.PAULING FILE. InInorganic Solid Phases, SpringerMaterials (http://materials.springer.com/isp/crystallographic/docs/sd_1410324);Springer-Verlag:Berlin Heidelberg, 2016.
10.1006/jssc.2002.9670
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10.1016/0304-8853(86)90046-6
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Dates

Type	When
Created	8 years ago (July 25, 2017, 3:45 p.m.)
Deposited	2 years, 3 months ago (April 26, 2023, 9:12 p.m.)
Indexed	2 days, 1 hour ago (Aug. 19, 2025, 7:08 a.m.)
Issued	8 years ago (Aug. 16, 2017)
Published	8 years ago (Aug. 16, 2017)
Published Online	8 years ago (Aug. 16, 2017)
Published Print	7 years, 7 months ago (Jan. 18, 2018)

Funders 3

Agence Nationale de la Recherche 10.13039/501100001665
Region: Europe
gov (National government)
Labels3
1. French National Research Agency
2. French National Agency for Research
3. ANR
Awards1
1. ANR-14-MERA-0003-03
Deutsche Forschungsgemeinschaft 10.13039/501100001659
Region: Europe
gov (National government)
Labels3
1. German Research Association
2. German Research Foundation
3. DFG
Awards1
1. MA 5487/4-1
Horizon 2020 Framework Programme 10.13039/100010661
Region: Europe
gov (National government)
Labels13
1. EU Framework Programme for Research and Innovation H2020
2. Horizon 2020
3. Rahmenprogramm Horizont 2020
4. Programa Marco Horizonte 2020
5. Programme-cadre Horizon 2020
6. Programma quadro Orizzonte 2020
7. Program ramowy Horyzont 2020
8. Horizont 2020
9. Horizonte 2020
10. Orizzonte 2020
11. Horyzont 2020
12. Horizon 2020 Framework Programme (H2020)
13. H2020

BibTeX

@article{Legrain_2017, title={Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods}, volume={122}, ISSN={1520-5207}, url={http://dx.doi.org/10.1021/acs.jpcb.7b05296}, DOI={10.1021/acs.jpcb.7b05296}, number={2}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Legrain, Fleur and Carrete, Jesús and van Roekeghem, Ambroise and Madsen, Georg K.H. and Mingo, Natalio}, year={2017}, month=aug, pages={625–632} }

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