All Publications

Pages

1. • Speech

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   Highthroughput computational search for high mobility p and n-type transparent oxides

   Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Varley, J. Lordi, V. Ceder, G. Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2015) Materials Research Society Spring meeting — San Francisco, USA,
2. • Speech

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   Finding the lowest electron effective mass oxides through high-throughput computing

   Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Waroquiers, David[UCL] Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2014) Materials Research Society Fall meeting — Boston, USA
3. • Speech

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   Highthroughput computational search for high mobility transparent conducting oxides

   Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Varley, J. Lordi, V. Ceder, G. Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2015) International conference on Combinatorial Materials Research — Ghent, Belgium
4. • Journal article

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   High-Throughput Design of Non-oxide p-Type Transparent Conducting Materials: Data Mining, Search Strategy, and Identification of Boron Phosphide

   Varley, Joel B. Miglio, Anna[UCL] Ha, Viet Anh[UCL] van Setten, Michiel[UCL] Rignanese, Gian-Marco[UCL] Hautier, Geoffroy[UCL] (2017) Chemistry of Materials — Vol. 29, no. 6, p. 2568-2573 (2017)
5. • Journal article

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   First-principles investigation of the structural, dynamical, and dielectric properties of kesterite, stannite, and PMCA phases of Cu2ZnSnS4

   Poyyapakkam Ramkumar, Sriram[UCL] Gillet, Yannick[UCL] Miglio, Anna[UCL] van Setten, Michiel[UCL] Gonze, Xavier[UCL] Rignanese, Gian-Marco[UCL] (2016) Physical review B — Vol. 94, no.224302, p. 1-10 (08/12/2016)
6. • Speech

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   Identification and design of low hole effective mass p-type transparent conducting oxides through high-throughput computing

   Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Varley, Joel Ceder, Gerbrand Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2014) Materials Research Society (MRS) — San Francisco, USA
7. • Speech

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   What chemistries will bring low hole effective mass transparent conducting oxides? A high-throughput computational analysis.

   Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Varley, Joel Ceder, Gerbrand Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2014) American Chemical Society Spring Meeting — Dallas, USA
8. • Speech

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   Finding low hole effective mass p-type Transparent Conducting Oxides through high-throughput computing

   Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Ceder, G. Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2013) European Congress and Exhibition on Advanced Materials and Processes — Sevilla, Spain
9. • Speech

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   Identification and design of novel p-type Transparent Conducting Oxides through high-throughput computing

   Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Ceder, G. Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2013) European Materials Research Society Spring Meeting 2013 — Strasbourg, France
10. • Speech

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    Identification of Low Hole Effective Mass Novel p-type Transparent Conducting Oxides by High-Throughput Computing

    Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Ceder, G. Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2013) European Theoretical Spectroscopy Facility (ETSF) workshop — Luxembourg, Grand-Duché du Luxembourg
11. • Speech

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    Accelerating materials discovery with ab initio methods through high-throughput and data mining

    Rignanese, Gian-Marco[UCL] Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Gonze, Xavier[UCL] Ceder, G. (2013) GDR Code Développement Formalisme (CoDFT): Des approches semi-empiriques à la Théorie de la Fonctionnelle de la Densité et au-delà — Guidel-les-Bains, France
12. • Speech

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    High-throughput ab initio computations for materials discovery and the Materials project Database

    Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] Jain, A. Persson, K. Ong, S.P. Ceder, G. (2012) European Theoretical Spectroscopy Facility (ETSF) workshop — Coimbra, Portugal
13. • Speech

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    Identification of Low Hole Effective Mass Novel P-Type Transparent Conducting Oxides by High-Throughput Computing

    Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Varley, J. Ceder, G. Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2013) Materials Research Society (MRS) Fall meeting — Boston, USA
14. • Speech

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    A High-Throughput Computational Search for New Transparent Conducting Oxides

    Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Ceder, G. Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2013) American Physical Society March Meeting 2013 — Baltimore, USA
15. • Speech

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    How to design low hole effective mass p-type transparent conducting oxides? A high-throughput computational analysis

    Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Rignanese, Gian-Marco[UCL] Ceder, G. Gonze, Xavier[UCL] (2013) MRS Spring Meeting — San Francisco, USA
16. • Journal article

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    First-principles study ofCe3+-dopedlanthanum silicate nitride phosphors: Neutral excitation, Stokes shift, and luminescent center identification

    Jia, Yongchao[UCL] Miglio, Anna[UCL] Poncé, Samuel[UCL] Gonze, Xavier[UCL] Mikami, Masayoshi (2016) Physical review. B, Condensed matter and materials physics — Vol. 93, no. 15, p. 155111 (2016)
17. • Journal article

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    Electronic structure and defect properties of B6 O from hybrid functional and many-body perturbation theory calculations: A possible ambipolar transparent conductor

    Varley, J.B. Lordi, V. Miglio, Anna[UCL] Hautier, Geoffroy[UCL] (2014) Physical review. B, Condensed matter and materials physics — Vol. 90, no. 4, p. 045205 (2014)
18. • Journal article

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    Computed electronic and optical properties of SnO2 under compressive stress

    Miglio, Anna[UCL] Saniz, R. Waroquiers, David[UCL] Stankovski, Martin[UCL] Giantomassi, Matteo[UCL] Hautier, Geoffroy[UCL] Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2014) Optical Materials — Vol. 38, no.1, p. 161-166 (8 novembre 2014)
19. • Journal article

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    How Does Chemistry Influence Electron Effective Mass in Oxides? A High-Throughput Computational Analysis

    Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Waroquiers, David[UCL] Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2014) Chemistry of Materials — Vol. 26, no.19, p. 5447-5458 (2014)
20. • Journal article

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    Identification and design principles of low hole effective mass p-type transparent conducting oxides

    Hautier, Geoffroy[UCL] Miglio, Anna[UCL] Ceder, Gerbrand Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2013) Nature Communications — Vol. 4, p. 2292 (2013)
21. • Journal article

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    Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory

    Waroquiers, David[UCL] Lherbier, Aurélien[UCL] Miglio, Anna[UCL] Stankovski, Martin[UCL] Poncé, Samuel[UCL] Oliveira, M.J.T. Giantomassi, Matteo[UCL] Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2013) Physical Review B - Condensed Matter and Materials Physics — Vol. 87, no.7, p. 075121 (2013)

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