Yang, Xiaoqing ; Guo, Pan ; Hu, Shunbo ; Gao, Zhibin ; Yao, Wenliang ; Cheng, Jinrong ; Poncé, Samuel ; Wang, Baigeng ; Ren, Wei. Ab initio study of temperature-dependent piezoelectric and electronic properties of thermally stable GaPO4. In: Physical Chemistry Chemical Physics, Vol. 26, no.32, p. 21530-21537 (2024). doi:10.1039/d4cp02270j.

http://hdl.handle.net/2078.1/295263

Rudra, Sourav ; Rao, Dheemahi ; Poncé, Samuel ; Saha, Bivas. Dominant Scattering Mechanisms in Limiting the Electron Mobility of Scandium Nitride. In: Nano Letters, Vol. 24, no.37, p. 11529-11536 (2024). doi:10.1021/acs.nanolett.4c02920.

http://hdl.handle.net/2078.1/292616

Wang, Amanda ; Bushick, Kyle ; Pant, Nick ; Lee, Woncheol ; Zhang, Xiao ; Leveillee, Joshua ; Giustino, Feliciano ; Poncé, Samuel ; Kioupakis, Emmanouil. Electron mobility of SnO2 from first principles. In: Applied Physics Letters, Vol. 124, no.17, p. 172103 (2024). doi:10.1063/5.0198885.

http://hdl.handle.net/2078.1/292613

Zhou, Jiaqi ; Poncé, Samuel ; Charlier, Jean-Christophe. Enhanced spin Hall ratio in two-dimensional semiconductors. In: npj Computational Materials, Vol. 10, no.1, p. 247 (2024). doi:10.1038/s41524-024-01434-z.

http://hdl.handle.net/2078.1/292877

Zhou, Jiaqi ; Poncé, Samuel ; Charlier, Jean-Christophe. Guidelines for accurate and efficient calculations of mobilities in two-dimensional semiconductors. In: Physical Review B, Vol. 110, no.12, p. 125304 (2024). doi:10.1103/physrevb.110.125304.

http://hdl.handle.net/2078.1/292617

Bosoni, Emanuele ; Beal, Louis ; Bercx, Marnik ; Blaha, Peter ; Blügel, Stefan ; Bröder, Jens ; Callsen, Martin ; Cottenier, Stefaan ; Degomme, Augustin ; Dikan, Vladimir ; Eimre, Kristjan ; Flage-Larsen, Espen ; Fornari, Marco ; Garcia, Alberto ; Genovese, Luigi ; Giantomassi, Matteo ; Huber, Sebastiaan P. ; Janssen, Henning ; Kastlunger, Georg ; Krack, Matthias ; Kresse, Georg ; Kühne, Thomas D. ; Lejaeghere, Kurt ; Madsen, Georg K. H. ; Marsman, Martijn ; Marzari, Nicola ; Michalicek, Gregor ; Mirhosseini, Hossein ; Müller, Tiziano M. A. ; Petretto, Guido ; Pickard, Chris J. ; Poncé, Samuel ; Rignanese, Gian-Marco ; Rubel, Oleg ; Ruh, Thomas ; Sluydts, Michael ; Vanpoucke, Danny E. P. ; Vijay, Sudarshan ; Wolloch, Michael ; Wortmann, Daniel ; Yakutovich, Aliaksandr V. ; Yu, Jusong ; Zadoks, Austin ; Zhu, Bonan ; Pizzi, Giovanni. How to verify the precision of density-functional-theory implementations via reproducible and universal workflows. In: Nature Reviews Physics, Vol. 6, no.1, p. 45-58 (2023). doi:10.1038/s42254-023-00655-3.

http://hdl.handle.net/2078.1/283774

Roisin, Nicolas ; Brunin, Guillaume ; Rignanese, Gian-Marco ; Flandre, Denis ; Raskin, Jean-Pierre ; Poncé, Samuel. Phonon-limited mobility for electrons and holes in highly-strained silicon. In: npj Computational Materials, Vol. 10, no.1, p. 242 (2024). doi:10.1038/s41524-024-01425-0.

http://hdl.handle.net/2078.1/292695

Lim, Jaemo ; Poncé, Samuel ; Park, Cheol-Hwan. Self-consistent electron lifetimes for electron-phonon scattering. In: Physical Review B, Vol. 110, no.12, p. L121106 (2024). doi:10.1103/physrevb.110.l121106.

http://hdl.handle.net/2078.1/292615

Bouquiaux, Julien ; Poncé, Samuel ; Jia, Yongchao ; Miglio, Anna ; Mikami, Masayoshi ; Gonze, Xavier. A First-Principles Explanation of the Luminescent Line Shape of SrLiAl3N4:Eu2+ Phosphor for Light-Emitting Diode Applications. In: Chemistry of Materials, Vol. 35, no. 14, p. 5353–5361 (2023). doi:10.1021/acs.chemmater.3c00537.

http://hdl.handle.net/2078.1/278733

Poncé, Samuel ; Royo, Miquel ; Gibertini, Marco ; Marzari, Nicola ; Stengel, Massimiliano. Accurate Prediction of Hall Mobilities in Two-Dimensional Materials through Gauge-Covariant Quadrupolar Contributions. In: Physical Review Letters, Vol. 130, no.16, p. 166301 (2023). doi:10.1103/physrevlett.130.166301.

http://hdl.handle.net/2078.1/274431

Margot, Florian ; Lisi, Simone ; Cucchi, Irène ; Cappelli, Edoardo ; Hunter, Andrew ; Gutiérrez-Lezama, Ignacio ; Ma, KeYuan ; von Rohr, Fabian ; Berthod, Christophe ; Petocchi, Francesco ; Poncé, Samuel ; Marzari, Nicola ; Gibertini, Marco ; Tamai, Anna ; Morpurgo, Alberto F. ; Baumberger, Felix. Electronic Structure of Few-Layer Black Phosphorus from μ-ARPES. In: Nano Letters, Vol. 23, no.14, p. 6433-6439 (2023). doi:10.1021/acs.nanolett.3c01226.

http://hdl.handle.net/2078.1/279869

Lee, Hyungjun ; Poncé, Samuel ; Bushick, Kyle ; Hajinazar, Samad ; Lafuente-Bartolome, Jon ; Leveillee, Joshua ; Lian, Chao ; Lihm, Jae-Mo ; Macheda, Francesco ; Mori, Hitoshi ; Paudyal, Hari ; Sio, Weng Hong ; Tiwari, Sabyasachi ; Zacharias, Marios ; Zhang, Xiao ; Bonini, Nicola ; Kioupakis, Emmanouil ; Margine, Elena R. ; Giustino, Feliciano. Electron–phonon physics from first principles using the EPW code. In: npj Computational Materials, Vol. 9, no.1, p. 156 (2023). doi:10.1038/s41524-023-01107-3.

http://hdl.handle.net/2078.1/279870

Poncé, Samuel ; Royo, Miquel ; Stengel, Massimiliano ; Marzari, Nicola ; Gibertini, Marco. Long-range electrostatic contribution to electron-phonon couplings and mobilities of two-dimensional and bulk materials. In: Physical Review B, Vol. 107, no.15, p. 155424 (2023). doi:10.1103/physrevb.107.155424.

http://hdl.handle.net/2078.1/274432

Berges, Jan ; Girotto, Nina ; Wehling, Tim ; Marzari, Nicola ; Poncé, Samuel. Phonon Self-Energy Corrections: To Screen, or Not to Screen. In: Physical Review X, Vol. 13, no.4, p. 041009 (2023). doi:10.1103/physrevx.13.041009.

http://hdl.handle.net/2078.1/279876

Rudra, Sourav ; Rao, Dheemahi ; Poncé, Samuel ; Saha, Bivas. Reversal of Band-Ordering Leads to High Hole Mobility in Strained p-type Scandium Nitride. In: Nano Letters, Vol. 23, no. 17, p. 8211-8217 (2023). doi:10.1021/acs.nanolett.3c02350.

http://hdl.handle.net/2078.1/279798

Leveillee, Joshua ; Poncé, Samuel ; Adamski, Nicholas L. ; Van de Walle, Chris G. ; Feliciano Giustino. Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN2 and MgSiN2. In: Applied Physics Letters, Vol. 120, no.1, p. 202106 (2022). doi:10.1063/5.0092709.

http://hdl.handle.net/2078.1/263084

Lin, Changpeng ; Poncé, Samuel ; Marzari, Nicola. General invariance and equilibrium conditions for lattice dynamics in 1D, 2D, and 3D materials. In: npj Computational Materials, Vol. 8, no.1, p. 236 (2022). doi:10.1038/s41524-022-00920-6.

http://hdl.handle.net/2078.1/267202

Poncé, Samuel. Efficient transport calculations in 2D materials,. 2022 APS March Meeting (Chicago, USA, du 14/03/2022 au 18/03/2022).

http://hdl.handle.net/2078.1/263070

Poncé, Samuel ; Royo, Miquel ; Stengel, Massimiliano ; Marzari, Nicola ; Gibertini, Marco. Importance of long-range electrostatic to the electron-phonon couplings of 2D materials. Psi-k Conference 2022 (Lausanne, Switzerland, du 22/08/2022 au 25/11/2022).

http://hdl.handle.net/2078.1/267203

Poncé, Samuel. Lab - Carrier transport using the EPW code. 9th SiNANO Modelling and Simulation Summer School (University of Glasgow - UK , du 12/07/2022 au 14/07/2022).

http://hdl.handle.net/2078.1/267204

Poncé, Samuel. Lecture: Carrier transport. 2022 School on Electron-Phonon Physics from first principles (Austin, USA, du 13/06/2022 au 19/06/2022).

http://hdl.handle.net/2078.1/263055

Poncé, Samuel. Lecture: Superconductivity and carrier transport modeling with EPW. Wannier 2022 Summer School (Trieste, Italy, du 16/05/2022 au 20/05/2022).

http://hdl.handle.net/2078.1/263056

Huber, Sebastiaan P. ; Bosoni, Emanuele ; Bercx, Marnik ; Bröder, Jens ; Degomme, Augustin ; Dikan, Vladimir ; Eimre, Kristjan ; Flage-Larsen, Espen ; Garcia, Alberto ; Genovese, Luigi ; Gresch, Dominik ; Johnston, Conrad ; Petretto, Guido ; Poncé, Samuel ; Rignanese, Gian-Marco ; Sewell, Christopher J. ; Smit, Berend ; Tseplyaev, Vasily ; Uhrin, Martin ; Wortmann, Daniel ; Yakutovich, Aliaksandr V. ; Zadoks, Austin ; Zarabadi-Poor, Pezhman ; Zhu, Bonan ; Marzari, Nicola ; Pizzi, Giovanni. Common workflows for computing material properties using different quantum engines. In: npj Computational Materials, Vol. 7, no.136, p. 12 (2021). doi:10.1038/s41524-021-00594-6.

http://hdl.handle.net/2078.1/251860

Poncé, Samuel ; Macheda, Francesco ; Margine, Elena Roxana ; Marzari, Nicola ; Bonini, Nicola ; Giustino, Feliciano. First-principles predictions of Hall and drift mobilities in semiconductors. In: Physical Review Research, Vol. 3, no.4, p. 043022 (2021). doi:10.1103/physrevresearch.3.043022.

http://hdl.handle.net/2078.1/255092

Bouquiaux, Julien ; Poncé, Samuel ; Jia, Yongchao ; Miglio, Anna ; Mikami, Masayoshi ; Gonze, Xavier. Importance of Long‐Range Channel Sr Displacements for the Narrow Emission in Sr[Li 2 Al 2 O 2 N 2 ]:Eu 2+ Phosphor. In: Advanced Optical Materials, p. 2100649 (2021). doi:10.1002/adom.202100649.

http://hdl.handle.net/2078.1/251075

Xia, Chelsea Q. ; Peng, Jiali ; Poncé, Samuel ; Patel, Jay B. ; Wright, Adam D. ; Crothers, Timothy W. ; Uller Rothmann, Mathias ; Borchert, Juliane ; Milot, Rebecca L. ; Kraus, Hans ; Lin, Qianqian ; Giustino, Feliciano ; Herz, Laura M. ; Johnston, Michael B.. Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors. In: The Journal of Physical Chemistry Letters, Vol. 12, no.14, p. 3607-3617 (2021). doi:10.1021/acs.jpclett.1c00619.

http://hdl.handle.net/2078.1/255099

Xia, Chelsea Q ; Poncé, Samuel ; Peng, Jiali ; Ulatowski, Aleksander M ; Patel, Jay B ; Wright, Adam D ; Milot, Rebecca L ; Kraus, Hans ; Lin, Qianqian ; Herz, Laura M ; Giustino, Feliciano ; Johnston, Michael B. Ultrafast photo-induced phonon hardening due to Pauli blocking in MAPbI3 single-crystal and polycrystalline perovskites. In: Journal of Physics: Materials, Vol. 4, no.4, p. 044017 (2021). doi:10.1088/2515-7639/ac22b9.

http://hdl.handle.net/2078.1/255108

Kobayashi, Rika ; Goumans, Theodorus P. M. ; Carstensen, N. Ole ; Soini, Thomas M. ; Marzari, Nicola ; Timrov, Iurii ; Poncé, Samuel ; Linscott, Edward B. ; Sewell, Christopher J. ; Pizzi, Giovanni ; Ramirez, Francisco ; Bercx, Marnik ; Huber, Sebastiaan P. ; Adorf, Carl S. ; Talirz, Leopold. Virtual Computational Chemistry Teaching Laboratories—Hands-On at a Distance. In: Journal of Chemical Education, Vol. 98, no.10, p. 3163-3171 (2021). doi:10.1021/acs.jchemed.1c00655.

http://hdl.handle.net/2078.1/254784

Poncé, Samuel. Ab initio calculation of carrier mobility in bulk and low-dimensional materials. Capturing Anharmonic Vibrational Motion in First-Principles Simulations (Virtual, du 06/12/2021 au 08/12/2021).

http://hdl.handle.net/2078.1/263115

Poncé, Samuel. Lecture: Carrier transport and Boltzmann equation. 2021 Virtual School on Electron-Phonon Physics and the EPW code (Virtual, du 14/06/2021 au 18/06/2021).

http://hdl.handle.net/2078.1/263071

Jia, Yongchao ; Poncé, Samuel ; Miglio, Anna ; Mikami, Masayoshi ; Gonze, Xavier. Design rule for the emission linewidth of Eu2+-activated phosphors. In: Journal of Luminescence, Vol. 224, p. 117258 (2020). doi:10.1016/j.jlumin.2020.117258.

http://hdl.handle.net/2078.1/250672

Poncé, Samuel ; Li, Wenbin ; Reichardt, Sven ; Giustino, Feliciano. First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials. In: Reports on Progress in Physics, Vol. 83, no.3, p. 036501 (2020). doi:10.1088/1361-6633/ab6a43.

http://hdl.handle.net/2078.1/253988

Poncé, Samuel ; Giustino, Feliciano. Structural, electronic, elastic, power, and transport properties of β−Ga2O3 from first principles. In: Physical Review Research, Vol. 2, no.3, p. 033102 (2020). doi:10.1103/physrevresearch.2.033102.

http://hdl.handle.net/2078.1/253990

Paudyal, Hari ; Poncé, Samuel ; Giustino, Feliciano ; Margine, Elena R.. Superconducting properties of MoTe2 from ab initio anisotropic Migdal-Eliashberg theory. In: Physical Review B, Vol. 101, no.21, p. 214515 (2020). doi:10.1103/physrevb.101.214515.

http://hdl.handle.net/2078.1/254788

Macheda, Francesco ; Poncé, Samuel ; Giustino, Feliciano ; Bonini, Nicola. Theory and Computation of Hall Scattering Factor in Graphene. In: Nano Letters, Vol. 20, no.12, p. 8861-8865 (2020). doi:10.1021/acs.nanolett.0c03874.

http://hdl.handle.net/2078.1/253980

Pizzi, Giovanni ; Vitale, Valerio ; Arita, Ryotaro ; Blügel, Stefan ; Freimuth, Frank ; Géranton, Guillaume ; Gibertini, Marco ; Gresch, Dominik ; Johnson, Charles ; Koretsune, Takashi ; Ibañez-Azpiroz, Julen ; Lee, Hyungjun ; Lihm, Jae-Mo ; Marchand, Daniel ; Marrazzo, Antimo ; Mokrousov, Yuriy ; Mustafa, Jamal I ; Nohara, Yoshiro ; Nomura, Yusuke ; Paulatto, Lorenzo ; Poncé, Samuel ; Ponweiser, Thomas ; Qiao, Junfeng ; Thöle, Florian ; Tsirkin, Stepan S ; Wierzbowska, Małgorzata ; Marzari, Nicola ; Vanderbilt, David ; Souza, Ivo ; Mostofi, Arash A ; Yates, Jonathan R. Wannier90 as a community code: new features and applications. In: Journal of Physics: Condensed Matter, Vol. 32, no.16, p. 165902 (2020). doi:10.1088/1361-648x/ab51ff.

http://hdl.handle.net/2078.1/254852

Sio, Weng Hong ; Verdi, Carla ; Poncé, Samuel ; Giustino, Feliciano. Ab initio theory of polarons: Formalism and applications. In: Physical Review B, Vol. 99, no.23, p. 235139 (2019). doi:10.1103/physrevb.99.235139.

http://hdl.handle.net/2078.1/255097

Jia, Yongchao ; Poncé, Samuel ; Miglio, Anna ; Mikami, Masayoshi ; Gonze, Xavier. Beyond the one-dimensional configuration coordinate model of photoluminescence. In: Physical Review B, Vol. 100, no.15, p. 155109 (2019). doi:10.1103/physrevb.100.155109.

http://hdl.handle.net/2078.1/227787

Li, Wenbin ; Poncé, Samuel ; Giustino, Feliciano. Dimensional Crossover in the Carrier Mobility of Two-Dimensional Semiconductors: The Case of InSe. In: Nano Letters, Vol. 19, no.3, p. 1774-1781 (2019). doi:10.1021/acs.nanolett.8b04799.

http://hdl.handle.net/2078.1/254786

Poncé, Samuel ; Jena, Debdeep ; Giustino, Feliciano. Hole mobility of strained GaN from first principles. In: Physical Review B, Vol. 100, no.8, p. 085204 (2019). doi:10.1103/physrevb.100.085204.

http://hdl.handle.net/2078.1/255089

Poncé, Samuel ; Schlipf, Martin ; Giustino, Feliciano. Origin of Low Carrier Mobilities in Halide Perovskites. In: ACS Energy Letters, Vol. 4, no.2, p. 456-463 (2019). doi:10.1021/acsenergylett.8b02346.

http://hdl.handle.net/2078.1/255088

Sio, Weng Hong ; Verdi, Carla ; Poncé, Samuel ; Giustino, Feliciano. Polarons from First Principles, without Supercells. In: Physical Review Letters, Vol. 122, no.24, p. 246403 (2019). doi:10.1103/physrevlett.122.246403.

http://hdl.handle.net/2078.1/255096

Poncé, Samuel ; Jena, Debdeep ; Giustino, Feliciano. Route to High Hole Mobility in GaN via Reversal of Crystal-Field Splitting. In: Physical Review Letters, Vol. 123, no.9, p. 096602 (2019). doi:10.1103/physrevlett.123.096602.

http://hdl.handle.net/2078.1/255091

Poncé, Samuel. Electronic transport and the EPW software. UK Thermoelectric Network Meeting (London, UK, 02/05/2019).

http://hdl.handle.net/2078/263074

Poncé, Samuel. Predictive calculations of phonon-limited carrier mobilities in semiconductors. Electron-phonon coupling workshop (Lugano, Switzerland, du 14/10/2019 au 16/10/2019).

http://hdl.handle.net/2078/263073

Schlipf, Martin ; Poncé, Samuel ; Giustino, Feliciano. Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite CH3NH3PbI3 from Multiphonon Fröhlich Coupling. In: Physical Review Letters, Vol. 121, no.8, p. 086402 (2018). doi:10.1103/physrevlett.121.086402.

http://hdl.handle.net/2078.1/255095

Caruso, Fabio ; Verdi, Carla ; Poncé, Samuel ; Giustino, Feliciano. Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2. In: Physical Review B, Vol. 97, no.16, p. 165113 (2018). doi:10.1103/physrevb.97.165113.

http://hdl.handle.net/2078.1/254780

Poncé, Samuel ; Margine, Elena R. ; Giustino, Feliciano. Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors. In: Physical Review B, Vol. 97, no.12, p. 121201 (2018). doi:10.1103/physrevb.97.121201.

http://hdl.handle.net/2078.1/255087

Poncé, Samuel. EPW in a nutshell. School on Electron-Phonon Physics from First Principles (Trieste, Italy, du 19/03/2018 au 23/03/2018).

http://hdl.handle.net/2078/263079

Poncé, Samuel. Introduction to the Boltzmann transport equation,. School on Electron-Phonon Physics from First Principles (Trieste, Italy, du 19/03/2018 au 23/03/2018).

http://hdl.handle.net/2078/263078

Poncé, Samuel. Towards predictive calculations of phonon-limited carrier mobilities in semiconductors. Workshop on electron-phonon interaction (Louvain-la-Neuve, du 22/05/2018 au 24/05/2018).

http://hdl.handle.net/2078/263077

Giannozzi, P ; Andreussi, O ; Brumme, T ; Bunau, O ; Buongiorno Nardelli, M ; Calandra, M ; Car, R ; Cavazzoni, C ; Ceresoli, D ; Cococcioni, M ; Colonna, N ; Carnimeo, I ; Dal Corso, A ; de Gironcoli, S ; Delugas, P ; DiStasio, R A ; Ferretti, A ; Floris, A ; Fratesi, G ; Fugallo, G ; Gebauer, R ; Gerstmann, U ; Giustino, F ; Gorni, T ; Jia, J ; Kawamura, M ; Ko, H-Y ; Kokalj, A ; Küçükbenli, E ; Lazzeri, M ; Marsili, M ; Marzari, N ; Mauri, F ; Nguyen, N L ; Nguyen, H-V ; Otero-de-la-Roza, A ; Paulatto, L ; Poncé, Samuel ; Rocca, D ; Sabatini, R ; Santra, B ; Schlipf, M ; Seitsonen, A P ; Smogunov, A ; Timrov, I ; Thonhauser, T ; Umari, P ; Vast, N ; Wu, X ; Baroni, S. Advanced capabilities for materials modelling with Quantum ESPRESSO. In: Journal of Physics: Condensed Matter, Vol. 29, no.46, p. 465901 (2017). doi:10.1088/1361-648x/aa8f79.

http://hdl.handle.net/2078.1/254781

Jia, Yongchao ; Poncé, Samuel ; Miglio, Anna ; Mikami, Masayoshi ; Gonze, Xavier. Assessment of First-Principles and Semiempirical Methodologies for Absorption and Emission Energies of Ce3+ -Doped Luminescent Materials. In: Advanced Optical Materials, Vol. 5, no. 7, p. 1600997 (2017). doi:10.1002/adom.201600997.

http://hdl.handle.net/2078.1/195876

Jia, Yongchao ; Miglio, Anna ; Poncé, Samuel ; Mikami, Masayoshi ; Gonze, Xavier. First-principles study of the luminescence of Eu2+-doped phosphors. In: Physical Review B, Vol. 96, no. 12, p. 125132 (2017). doi:10.1103/physrevb.96.125132.

http://hdl.handle.net/2078.1/195878

Heil, Christoph ; Poncé, Samuel ; Lambert, Henry ; Schlipf, Martin ; Margine, Elena R. ; Giustino, Feliciano. Origin of Superconductivity and Latent Charge Density Wave in NbS2. In: Physical Review Letters, Vol. 119, no.8, p. 087003 (2017). doi:10.1103/physrevlett.119.087003.

http://hdl.handle.net/2078.1/254783

Poncé, Samuel ; Margine, E.R. ; Verdi, C. ; Giustino, F.. EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions. In: Computer Physics Communications, Vol. 209, no.-, p. 116-133 (2016). doi:10.1016/j.cpc.2016.07.028.

http://hdl.handle.net/2078.1/254854

Jia, Yongchao ; Miglio, Anna ; Poncé, Samuel ; Gonze, Xavier ; Mikami, Masayoshi. First-principles study ofCe3+-dopedlanthanum silicate nitride phosphors: Neutral excitation, Stokes shift, and luminescent center identification. In: Physical review. B, Condensed matter and materials physics, Vol. 93, no. 15, p. 155111 (2016). doi:10.1103/PhysRevB.93.155111.

http://hdl.handle.net/2078.1/183061

Laflamme Janssen, Jonathan ; Gillet, Yannick ; Poncé, Samuel ; Martin, Alexandre ; Torrent, Marc ; Gonze, Xavier. Precise effective masses from density functional perturbation theory. In: Physical review. B, Condensed matter and materials physics, Vol. 93, no. 20, p. 205147 (2016). doi:10.1103/PhysRevB.93.205147.

http://hdl.handle.net/2078.1/174483

Gonze, Xavier ; Jollet, F. ; Abreu Araujo, Flavio ; Adams, D. ; Amadon, B. ; Applencourt, T. ; Audouze, C. ; Beuken, Jean-Michel ; Bieder, J. ; Bokhanchuk, A. ; Bousquet, E. ; Bruneval, F. ; Caliste, D. ; Côté, M. ; Dahm, F. ; Da Pieve, Fabiana ; Delaveau, M. ; Di Gennaro, M. ; Dorado, B. ; Espejo, C. ; Geneste, G. ; Genovese, L. ; Gerossier, A. ; Giantomassi, Matteo ; Gillet, Yannick ; Hamann, D.R. ; He, L. ; Jomard, G. ; Laflamme Janssen, Jonathan ; Le Roux, Stéphane ; Levitt, A. ; Lherbier, Aurélien ; Liu, F. ; Lukačević, I. ; Martin, A. ; Martins, C. ; Oliveira, M.J.T. ; Poncé, Samuel ; Pouillon, Y. ; Rangel, T. ; Rignanese, Gian-Marco ; Romero, A.H. ; Rousseau, B. ; Rubel, O. ; Shukri, A.A. ; Stankovski, M. ; Torrent, M. ; van Setten, Michiel ; Van Troeye, Benoît ; Verstraete, M.J. ; Waroquiers, David ; Wiktor, J. ; Xu, B. ; Zhou, A. ; Zwanziger, J.W.. Recent developments in the ABINIT software package. In: Computer Physics Communications, Vol. 205, no. - , p. 106-131 (2016). doi:10.1016/j.cpc.2016.04.003.

http://hdl.handle.net/2078.1/174586

Saidi, Wissam A. ; Poncé, Samuel ; Monserrat, Bartomeu. Temperature Dependence of the Energy Levels of Methylammonium Lead Iodide Perovskite from First-Principles. In: The Journal of Physical Chemistry Letters, Vol. 7, no.24, p. 5247-5252 (2016). doi:10.1021/acs.jpclett.6b02560.

http://hdl.handle.net/2078.1/255093

Poncé, Samuel ; Jia, Yongchao ; Giantomassi, Matteo ; Mikami, Masayoshi ; Gonze, Xavier. Understanding Thermal Quenching of Photoluminescence in Oxynitride Phosphors from First Principles. In: The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 120, no.7, p. 4040-4047 (2016). doi:10.1021/acs.jpcc.5b12361.

http://hdl.handle.net/2078.1/183031

Poncé, Samuel. The EPW software. Advanced Quantum Espresso Developers’ meeting: Linear Response (Trieste, Italy, du 11/01/2016 au 13/01/2016).

http://hdl.handle.net/2078/263081

Antonius, G. ; Poncé, Samuel ; Lantagne-Hurtubise, E. ; Auclair, G. ; Gonze, Xavier ; Côté, M.. Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure. In: Physical review. B, Condensed matter and materials physics, Vol. 92, no.8, p. 085137 (2015). doi:10.1103/PhysRevB.92.085137.

http://hdl.handle.net/2078.1/167907

Marini, Andrea ; Poncé, Samuel ; Gonze, Xavier. Many-body perturbation theory approach to the electron-phonon interaction with density-functional theory as a starting point. In: Physical review. B, Condensed matter and materials physics, Vol. 91, no.22, p. 224310 (2015). doi:10.1103/PhysRevB.91.224310.

http://hdl.handle.net/2078.1/167906

Poncé, Samuel ; Gillet, Yannick ; Laflamme Janssen, Jonathan ; Marini, Andrea ; Verstraete, Matthieu ; Gonze, Xavier. Temperature dependence of the electronic structure of semiconductors and insulators. In: Journal of Chemical Physics, Vol. 143, p. 102813 (2015). doi:10.1063/1.4927081.

http://hdl.handle.net/2078.1/163793

Poncé, Samuel ; Gillet, Yannick ; Laflamme Janssen, Jonathan ; Marini, Andrea ; Verstraete, Matthieu ; Gonze, Xavier. Temperature Dependence of the Electronic Structure of Semiconductors and Insulators. CECAM Workshop "Electron-vibration coupling : theoretical and numerical challenges" (Lausanne, du 27/05/2015 au 29/05/2015).

http://hdl.handle.net/2078.1/159259

Poncé, Samuel ; Antonius, G. ; Gillet, Yannick ; Boulanger, Paul ; Laflamme Janssen, Jonathan ; Marini, Andrea. Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation. Electron-phonon Meeting (Rome, Italie, du 14/01/2015 au 16/01/2015).

http://hdl.handle.net/2078.1/153905

Poncé, Samuel. Temperature dependence of the electronic structure of semiconductors and insulators. Electron-vibration coupling: theoretical and numerical challenges (Lausanne, Switzerland, du 27/05/2015 au 29/05/2015).

http://hdl.handle.net/2078/263082

Poncé, Samuel. Temperature dependence of the electronic structure: the Allen-Heine-Cardona formalism and beyond. 7th International Abinit Developer Workshop ( Liège, Belgium, du 28/04/2015 au 30/04/2015).

http://hdl.handle.net/2078/263083

Poncé, Samuel. First-principles study of phosphors for white LEDs applications and of the temperature dependence of the electronic structure, prom. : Gonze, Xavier, 30/01/2015.

http://hdl.handle.net/2078.1/156658