User menu

Accès à distance ? S'identifier sur le proxy UCLouvain

Search

Displaying 24 results.
    • Speech
    High-throughput computations as an accelerator for materials discovery: an application to p-type transparent conducting oxides
    Hautier, Geoffroy[UCL] (2013) Max-Planck-Institut für Eisenforschung - Seminar — Düsseldorf, Germany
    • Speech
    Accelerating materials discovery through high-throughput computing and the Materials Project
    Hautier, Geoffroy[UCL] (2013) Departement Metaalkunde en Toegepaste Materiaalkunde KU Leuven - Seminar — Leuven, Belgium
    • Journal article
    Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
    Jain, Anubhav Ong, Shyue Ping Hautier, Geoffroy[UCL] Chen, Wei William Davidson Richards Stephen Dacek Shreyas Cholia Dan Gunter David Skinner Gerbrand Ceder Kristin A. Persson (2013) APL Materials — Vol. 1, no. 1, p. 011002-1 (July 2013)
    • Journal article
    First principles high throughput screening of oxynitrides for water-splitting photocatalysts
    Yabi Wu Predrag Lazic Hautier, Geoffroy[UCL] Kristin Persson Gerbrand Ceder (2013) Energy & Environmental Science — Vol. 2013, no. 6, p. 157-168 (2013)
    • Journal article
    First-principles study of iron oxyfluorides and lithiation of FeOF
    Vincent L. Chevrier Hautier, Geoffroy[UCL] Shyue Ping Ong Robert E. Doe Gerbrand Ceder (2013) Physical review. B, Condensed matter and materials physics — Vol. 87, p. 094118 1-9 (2013)
    • Journal article
    Improved Capacity Retention for LiVO2 by Cr Substitution
    Xiaohua Ma Hautier, Geoffroy[UCL] Anubhav Jain, Robert Doe Gerbrand Ceder (2013) Journal of the Electrochemical Society — Vol. 160, no.2, p. A279-A284 (2013)
    • BookChapter
    Data mining approaches to high-throughput crystal structure and compound prediction
    Hautier, Geoffroy[UCL] (2013) Prediction and Calculation of Crystal Structures: Methods and Applications —
    • Speech
    A new Klondike for materials? The Materials Project
    Hautier, Geoffroy[UCL] (2013) The Materials Evolution workshop — Lund (Sweden)
    • Speech
    Data Mined Compound and Crystal Structure Prediction for High-ThroughputMaterials Discovery
    Hautier, Geoffroy[UCL] (2013) Society for Industrial and Applied Mathematics (SIAM) conference — Philadelphia, USA
    • Speech
    A High-Throughput Computational Search for New p-type Transparent ConductingOxides
    Hautier, Geoffroy[UCL] (2013) Workshop on The future of transparent conducting oxides — Hasselt (Belgium
    • Speech
    Designing Multi-electron phosphate cathodes by mixing transition metals
    Hautier, Geoffroy[UCL] Jain, A. Mueller, T. Moore, C.J. Ong, S.P. Ceder, G. (2013) Materials Research Society (MRS) Fall meeting — Boston, USA
    • Speech
    Accelerating materials discovery for industrial applications using highthroughputab initio computing
    Hautier, Geoffroy[UCL] (2013) European Theoretical Spectroscopy Facility (ETSF) Young researchers’ meeting — Budapest (Hungary)
    • Speech
    Sidorenkite (Na3MnPO4CO3), a New Intercalation Cathode Material for Na-Ion Batteries
    Chen, H. Hao, Q. Zivkovic, O. Hautier, Geoffroy[UCL] Du, L.-S. Tang, Y. Hu, Yan-Yan Ma, X. Grey, C. Ceder, G. (2013) 224th Electrochemical Society Meeting — San Francisco, USA
    • Speech
    Accuracy of Generalized Gradient Approximation functionals for density functional perturbation theory calculations
    He, L. Liu, F. Hautier, Geoffroy[UCL] Oliveira, M.J.T. Marques, M.A.L. Vila, F.D. Rehr, J.J. Rignanese, Gian-Marco[UCL] Zhou, A. (2013) 6th International ABINIT Developer Workshop — Dinard, France
    • Speech
    High-throughput computations as an accelerator for materials discovery: an application to p-type transparent conducting oxides
    Hautier, Geoffroy[UCL] (2013) CRP-Gabriel Lippmann - Seminar — Belvaux, Luxemburg
    • Speech
    High-throughput computations as an accelerator for materials discovery: an application to p-type transparent conducting oxides
    Hautier, Geoffroy[UCL] (2013) Helmholtz-Zentrum Berlin für Materialien und Energie - Seminar — Berlin, Germany
    • Speech
    Finding new p-type Transparent Conducting Oxides through high-throughputcomputations
    Hautier, Geoffroy[UCL] (2013) invited seminar in professor Ceder's group at the Massachusetts Institute of Technology —
    • Speech
    Towards high-throughput ab initio calculations using ABINIT
    Antonius, G. Côté, M. Giantomassi, Matteo[UCL] Gonze, Xavier[UCL] Hautier, Geoffroy[UCL] Rignanese, Gian-Marco[UCL] Stankovski, Martin[UCL] Waroquiers, David[UCL] (2013) 6th International ABINIT Developer Workshop — Dinard, France
    • Speech
    High-throughput computations as an accelerator for materials discovery: an application to p-type transparent conducting oxides
    Hautier, Geoffroy[UCL] (2013) International workshop on computational physics and materials science — Lausanne, Switzerland
    • Speech
    Accelerating materials discovery through high-throughput computing and theMaterials Project
    Hautier, Geoffroy[UCL] (2013) Special Seminar at Unicat (German cluster of excellence in catalysis) — Berlin, Germany
    • Journal article
    Performance of genetic algorithms in search for water splitting perovskites
    Anubhav Jain Ivano E. Castelli Hautier, Geoffroy[UCL] David H. Bailey Karsten W. Jacobsen (2013) Journal of Materials Science — Vol. 48, no. 19, p. 6519-6534 (2013)
    • Journal article
    Sidorenkite (Na3MnPO4CO3): A New Intercalation Cathode Material for Na-Ion Batteries
    Hailong Chen Qing Hao Olivera Zivkovic Hautier, Geoffroy[UCL] Lin-Shu Du Yuanzhi Tang Yan-Yan Hu Xiaohua Ma Clare P. Grey Gerbrand Ceder (2013) Chemistry of Materials — Vol. 25, no. 14, p. 2777–2786 (2013)
    • Journal article
    Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
    Shyue Ping Ong William Davidson Richards Anubhav Jain Hautier, Geoffroy[UCL] Michael Kocher Shreyas Cholia Dan Gunter Vincent L. Chevrier Kristin A. Persson Gerbrand Ceder (2013) Computational Materials Science — Vol. 68, p. 314–319 (2013)
    • Journal article
    Designing Multielectron Lithium-Ion Phosphate Cathodes by MixingTransition Metals
    Hautier, Geoffroy[UCL] Anubhav Jain Tim Mueller Charles Moore Shyue Ping Ong Gerbrand Ceder (2013) Chemistry of Materials — Vol. 25, no. 10, p. 2064–2074 (2013)