Energy landscape of fullerene materials: a comparison of boron to boron nitride and carbon S De, A Willand, M Amsler, P Pochet, L Genovese, S Goedecker
Physical review letters 106 (22), 225502, 2011
167 2011 Order-disorder transformation in Fe-Al under ball milling P Pochet, E Tominez, L Chaffron, G Martin
Phys. Rev. B 52 (400), 4006, 1995
163 1995 Optimized energy landscape exploration using the ab initio based activation-relaxation technique E Machado-Charry, LK Béland, D Caliste, L Genovese, T Deutsch, ...
The Journal of chemical physics 135 (3), 034102, 2011
88 2011 Band gap engineering via edge-functionalization of graphene nanoribbons P Wagner, CP Ewels, JJ Adjizian, L Magaud, P Pochet, S Roche, ...
The Journal of Physical Chemistry C 117 (50), 26790-26796, 2013
75 2013 Point defect engineering strategies to suppress A-center formation in silicon A Chroneos, CA Londos, EN Sgourou, P Pochet
Applied Physics Letters 99 (24), 241901, 2011
75 2011 The activation-relaxation technique: ART nouveau and kinetic ART N Mousseau, LK Béland, P Brommer, JF Joly, F El-Mellouhi, ...
Journal of Atomic and Molecular Physics 2012, 2012
69 2012 Impact of isovalent doping on the trapping of vacancy and interstitial related defects in Si EN Sgourou, D Timerkaeva, CA Londos, D Aliprantis, A Chroneos, ...
Journal of Applied Physics 113 (11), 113506, 2013
64 2013 Nitrogen implantation of suspended graphene flakes: Annealing effects and selectivity of sp2 nitrogen species M Scardamaglia, B Aleman, M Amati, C Ewels, P Pochet, N Reckinger, ...
Carbon 73, 371-381, 2014
62 2014 Control of magnetic properties of epitaxial Mn A Spiesser, I Slipukhina, MT Dau, E Arras, V Le Thanh, L Michez, ...
Physical Review B 84 (16), 165203, 2011
62 2011 Vacancy-assisted diffusion in silicon: A three-temperature-regime model D Caliste, P Pochet
Physical review letters 97 (13), 135901, 2006
56 2006 Simulation of the enhanced Curie temperature in I Slipukhina, E Arras, P Mavropoulos, P Pochet
Applied Physics Letters 94 (19), 192505, 2009
54 2009 Phase diagram, structure, and magnetic properties of the Ge-Mn system: A first-principles study E Arras, D Caliste, T Deutsch, F Lançon, P Pochet
Physical Review B 83 (17), 174103, 2011
52 2011 Strain relaxation in CVD graphene: wrinkling with shear lag MS Bronsgeest, N Bendiab, S Mathur, A Kimouche, HT Johnson, ...
Nano letters 15 (8), 5098-5104, 2015
48 2015 Low-energy boron fullerenes: Role of disorder and potential synthesis pathways P Pochet, L Genovese, S De, S Goedecker, D Caliste, SA Ghasemi, K Bao, ...
Physical Review B 83 (8), 081403, 2011
39 2011 Germanium diffusion mechanisms in silicon from first principles D Caliste, P Pochet, T Deutsch, F Lançon
Physical Review B 75 (12), 125203, 2007
39 2007 First-principles prediction of stable SiC cage structures and their synthesis pathways P Pochet, L Genovese, D Caliste, I Rousseau, S Goedecker, T Deutsch
Physical Review B 82 (3), 035431, 2010
38 2010 Modeling of aging in plutonium by molecular dynamics P Pochet
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2003
34 2003 Selecting boron fullerenes by cage-doping mechanisms P Boulanger, M Morinière, L Genovese, P Pochet
The Journal of chemical physics 138 (18), 184302, 2013
33 2013 Tunable magnetic states in hexagonal boron nitride sheets E Machado-Charry, P Boulanger, L Genovese, N Mousseau, P Pochet
Applied Physics Letters 101 (13), 132405, 2012
33 2012 Atomic structure of mn-rich nanocolumns probed by x-ray absorption spectroscopy M Rovezzi, T Devillers, E Arras, F d’Acapito, A Barski, M Jamet, P Pochet
Applied Physics Letters 92 (24), 242510, 2008
31 2008 