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Displaying 1 - 25 of 31 results.

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    • Journal article
    Computer simulations of cluster impacts : effect of the atomic masses of the projectile and target
    Restrepo-Gutiérrez, Oscar Antonio[UCL] Gonze, Xavier[UCL] Bertrand, Patrick[UCL] Delcorte, Arnaud[UCL] (2013) Physical Chemistry Chemical Physics — Vol. 15, p. 7621-7627 (25 Feb 2013)
    • Journal article
    Spin–orbit effects in the bismuth atom and dimer: tight-binding and density functional theorycomparison
    Oliveira, M. Gonze, Xavier[UCL] (2013) The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical — Vol. 46, p. 095101 (16 April 2013)
    • Speech
    First-principles study of excitonic effects in Raman intensities
    Gillet, Yannick[UCL] Giantomassi, Matteo[UCL] Gonze, Xavier[UCL] (2013) “18th ETSF Workshop on Electronic Excitations - Applications to functional and energy materials” — Luxembourg, Grand Duché du Luxembourg
    • Journal article
    Band structure tunability in MoS2 under interlayer compression: A DFT and GW study
    Espejo, C.[UCL] Rangel, T. Romero, A. H. Gonze, Xavier[UCL] Rignanese, Gian-Marco[UCL] (2013) Physical Review B — Vol. 87, no.24, p. 245114 (6/17)
    • Speech
    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
    • Speech
    Excitonic effects in Raman intensities : an ab initio study
    Gillet, Yannick[UCL] Giantomassi, Matteo[UCL] Gonze, Xavier[UCL] (2013) “ETSF Young Researchers’ Meeting 2013 - Beyond density-functional theory – Experimental and industrial connection” — Budapest, Hungary
    • Speech
    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
    • Journal article
    First-principles study of excitonic effects in Raman intensities
    Gillet, Yannick[UCL] Giantomassi, Matteo[UCL] Gonze, Xavier[UCL] (2013) Physical review. B, Condensed matter and materials physics — Vol. 88, no.9, p. 094305/1-9 (17 September 2013)
    • Speech
    Bethe-Salpeter methodology and resonant Raman spectroscopy
    Gillet, Yannick[UCL] Giantomassi, Matteo[UCL] Gonze, Xavier[UCL] (2013) "6th International ABINIT developer workshop 2013" — Dinard, France
    • Journal article
    Origin of Magnetism and Quasiparticles Properties in Cr-Doped TiO2
    Da Pieve, Fabiana[UCL] Di Matteo, S. Rangel, T. Giantomassi, Matteo[UCL] Lamoen, D. Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2013) Physical Review Letters — Vol. 110, no.13, p. 136402 (2013)
    • Speech
    On the merging of DF(P)T and Many-Body Perturbation theory: a practical scheme
    Marini, Andrea Poncé, Samuel[UCL] Cannuccia, Elena Gonze, Xavier[UCL] (2013) 18th ETSF Workshop on Electronic Excitations — Luxembourg city – Luxembourg
    • Speech
    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
    • Speech
    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
    • Speech
    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

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