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A highly selective non-radical diazo coupling provides low cost semi-conducting carbon nanotubes

Léa Darchy , Nassim Hanifi , Fabien Vialla , Christophe Voisin , Pierre-Alain Bayle , et al.
Carbon, 2014, 66, pp.246. ⟨10.1016/j.carbon.2013.08.064⟩
Article dans une revue hal-00929676v1

How do surfaces control the electrostatics of semiconductor nanostructures ?

Christophe Delerue , Yann Michel Niquet
Materials Research Society Spring Meeting, MRS Spring 2013, Symposium Q : Surfaces of Nanoscale Semiconductors, Apr 2013, San Francisco, United States
Communication dans un congrès hal-03317242v1

Probing Potential Energy Surface Exploration Strategies for Complex Systems

Gawonou Kokou N'Tsouaglo , Laurent Karim Beland , Jean-Francois Joly , Peter Brommer , Normand Mousseau , et al.
Journal of Chemical Theory and Computation, 2015, 11 (4), pp.1970-1977. ⟨10.1021/ct501032v⟩
Article dans une revue hal-01616547v1

Boron aggregation in the ground states of boron-carbon fullerenes

Stephan Mohr , Pascal Pochet , Maximilian Amsler , Bastian Schaefer , Ali Sadeghi , et al.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89 (4), ⟨10.1103/PhysRevB.89.041404⟩
Article dans une revue hal-02137672v1

Strain effects and intermixing at the Si surface: Importance of long-range elastic corrections in first-principles calculations

Laurent Karim Beland , Eduardo Machado-Charry , Pascal Pochet , Normand Mousseau
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90 (15), ⟨10.1103/PhysRevB.90.155302⟩
Article dans une revue hal-02139087v1

Organizing Software Growth and Distributed Development: The Case of Abinit

Yann Pouillon , Jean-Michel Beuken , Thierry Deutsch , Marc Torrent , Xavier Gonze
Computing in Science and Engineering, 2011, 13 (1), pp.62-69. ⟨10.1109/MCSE.2011.13⟩
Article dans une revue hal-02072715v1

Accurate complex scaling of three dimensional numerical potentials

Alessandro Cerioni , Luigi Genovese , Ivan Duchemin , Thierry Deutsch
Journal of Chemical Physics, 2013, 138 (20), pp.204111. ⟨10.1063/1.4807495⟩
Article dans une revue hal-02072694v1

Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputers

Laura Ratcliff , A Degomme , A Flores-Livas , Stefan Goedecker , Luigi Genovese
Journal of Physics: Condensed Matter, 2018, 30 (9), pp.095901. ⟨10.1088/1361-648X/aaa8c9⟩
Article dans une revue hal-02141904v1
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Accurate description of charged excitations in molecular solids from embedded many-body perturbation theory

Jing Li , Gabriele d'Avino , Ivan Duchemin , David Beljonne , Xavier Blase
Physical Review B, 2018, 97 (3), pp.035108. ⟨10.1103/PhysRevB.97.035108⟩
Article dans une revue hal-01715820v1

Hybrid and Constrained Resolution-of-Identity Techniques for Coulomb Integrals

Ivan Duchemin , Jing Li , Xavier Blase
Journal of Chemical Theory and Computation, 2017, 13 (3), pp.1199 - 1208. ⟨10.1021/acs.jctc.6b01215⟩
Article dans une revue hal-01633509v1

Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids

Jing Li , Gabriele D’avino , Ivan Duchemin , David Beljonne , Xavier Blase
Journal of Physical Chemistry Letters, 2016, 7 (14), pp.2814 - 2820. ⟨10.1021/acs.jpclett.6b01302⟩
Article dans une revue hal-01633561v1

Corrigendum to “Wavelet-based linear-response time-dependent density-functional theory: Excited-states modeling of fluorescent compounds with UV–vis spectra calculations” [Chem. Phys. 402 (2012) 29]

Bhaarathi Natarajan , Luigi Genovese , Thierry Deutsch , Mark E. Casida
Chemical Physics, 2014, 436-437, pp.63 - 64. ⟨10.1016/j.chemphys.2014.01.001⟩
Article dans une revue hal-01650976v1
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Building and auto-tuning computing Kernels: experimenting with BOAST and StarPU in the GYSELA code

Julien Bigot , Virginie Grandgirard , Guillaume Latu , Jean-François Méhaut , Luís Felipe Millani , et al.
ESAIM: Proceedings, 2018, CEMRACS 2016 - Numerical challenges in parallel scientific computing, 63 (2018), pp.152 - 178. ⟨10.1051/proc/201863152⟩
Article dans une revue hal-01909325v1
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Approche multiéchelle pour le magnétisme. Application aux hétérogénéités structurales et aux singularités magnétiques.

Thomas Jourdan
Matière Condensée [cond-mat]. Université Joseph-Fourier - Grenoble I, 2008. Français. ⟨NNT : ⟩
Thèse tel-00345621v1
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Metallic behaviour in SOI quantum wells with strong intervalley scattering

V.T Renard , I Duchemin , Y Niida , A Fujiwara , Y Hirayama , et al.
Scientific Reports, 2013, pp.2011. ⟨10.1038/srep02011⟩
Article dans une revue hal-01180911v1

Nitrogen implantation of suspended graphene flakes: Annealing effects and selectivity of sp2 nitrogen species

M. Scardamaglia , B. Aleman , M. Amati , C. Ewels , P. Pochet , et al.
Carbon, 2014, 73, pp.371-381. ⟨10.1016/j.carbon.2014.02.078⟩
Article dans une revue hal-02139086v1
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X-ray magnetic circular dichroism in (Ge,Mn) compounds: experiments and modeling

Samuel Tardif , Andrey Titov , Emmanuel Arras , Ivetta Slipukhina , El-Kebir Hlil , et al.
Journal of Magnetism and Magnetic Materials, 2014, 354, pp.151-158. ⟨10.1016/j.jmmm.2013.10.037⟩
Article dans une revue hal-00739254v4
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Electron-phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory

Carina Faber , Ivan Duchemin , Thierry Deutsch , Claudio Attaccalite , Valerio Olevano , et al.
Journal of Materials Science, 2012, 47 (21), pp.7472. ⟨10.1007/s10853-012-6401-7⟩
Article dans une revue hal-00730389v1

Linear scaling DFT calculations for large tungsten systems using an optimized local basis

Stephan Mohr , Marc Eixarch , Maximilian Amsler , Mervi Mantsinen , Luigi Genovese
Nuclear Materials and Energy, 2018, 15, pp.64-70. ⟨10.1016/j.nme.2018.01.002⟩
Article dans une revue hal-02139051v1

Introduction to Quantum Transport

Francois Triozon , Stephan Roche , Yann-Michel Niquet
Simulation of Transport in Nanodevices, John Wiley & Sons, Inc., pp.163-222, 2016
Chapitre d'ouvrage hal-02138716v1

High Resolution Electron Microscopy of Grain Boundary Motion During Island Grain Shrinkage

U. Dahmen , T. Radetic , M.L. Bowers , C. Ophus , A. Gautam , et al.
Microscopy and Microanalysis, 2016, 22 (S3), pp.1224-1225. ⟨10.1017/S1431927616006966⟩
Article dans une revue hal-02143417v1

Manipulating spin polarization and carrier mobility in zigzag graphene ribbons using an electric field

Jing Li , Yann-Michel Niquet , Christophe Delerue
2016 IEEE International Electron Devices Meeting (IEDM), Dec 2016, San Francisco, United States. pp.36.3.1-36.3.4
Communication dans un congrès hal-02143466v1

Transport in TriGate nanowire FET: Cross-section effect at the nanometer scale

J. Pelloux-Prayer , M. Cassé , S. Barraud , F. Triozon , Z. Zeng , et al.
2016 IEEE SOI-3D-Subthreshold Microelectronics Technology Unified Conference (S3S), Oct 2016, Burlingame, France. pp.1-2
Communication dans un congrès hal-02143469v1

Radii of Rydberg states of isolated silicon donors

Juerong Li , Nguyen Le , K. Li , K. Clowes , H. Engelkamp , et al.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 98 (8), ⟨10.1103/PhysRevB.98.085423⟩
Article dans une revue hal-02141915v1

Assessment of the convergence of partially self-consistent BSE/GW calculations

Denis Jacquemin , Ivan Duchemin , Xavier Blase
Molecular Physics, 2016, 114 (7-8), pp.957-967. ⟨10.1080/00268976.2015.1119901⟩
Article dans une revue cea-01849852v1

Contact resistances in trigate and FinFET devices in a non-equilibrium Green's functions approach

Leo Bourdet , Jing Li , Johan Pelloux-Prayer , Francois Triozon , Mikael Casse , et al.
Journal of Applied Physics, 2016, 119 (8), pp.084503. ⟨10.1063/1.4942217⟩
Article dans une revue cea-01849341v1
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Carrier scattering by workfunction fluctuations and interface dipoles in high-κ/metal gate stacks

Zaiping Zeng , Francois Triozon , Yann-Michel Niquet
2016 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD 2016), Sep 2016, Nuremberg, Germany. ⟨10.1109/SISPAD.2016.7605223⟩
Communication dans un congrès cea-01973705v1

Anisotropic transport properties of quasiballistic InAs nanowires under high magnetic field

Florian Vigneau , Zaiping Zeng , Walter Escoffier , Philippe Caroff , Renaud Leturcq , et al.
Physical Review, 2018, 97 (12), pp.125308. ⟨10.1103/PhysRevB.97.125308⟩
Article dans une revue hal-01980714v1

Split-Channel Ballistic Transport in an InSb Nanowire

Juan Carlos Estrada Saldana , Yann-Michel Niquet , Jean-Pierre Cleuziou , Eduardo Lee , Diana Car , et al.
Nano Letters, 2018, 18 (4), pp.2282 - 2287. ⟨10.1021/acs.nanolett.7b03854⟩
Article dans une revue hal-01921932v1

OPTICAL SPECTROSCOPY AND X-RAY MICRODIFFRACTION STUDY OF HIGHLY STRAINED GE NANOSTRUCTURES

Kevin Guilloy , Nicolas Pauc , Alban Gassenq , P. Gentile , Samuel Tardif , et al.
12th International Conference on Group IV Photonics, Aug 2015, Vancouver, Canada
Communication dans un congrès cea-01998277v1