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
185 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
176 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
100 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
95 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
83 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
81 2012 Single artificial atoms in silicon emitting at telecom wavelengths W Redjem, A Durand, T Herzig, A Benali, S Pezzagna, J Meijer, ...
Nature Electronics 3 (12), 738-743, 2020
78 2020 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
76 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
71 2015 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
70 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
68 2014 Simulation of the enhanced Curie temperature in I Slipukhina, E Arras, P Mavropoulos, P Pochet
Applied Physics Letters 94 (19), 192505, 2009
64 2009 Vacancy-assisted diffusion in silicon: A three-temperature-regime model D Caliste, P Pochet
Physical review letters 97 (13), 135901, 2006
60 2006 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
59 2011 Beyond van der Waals Interaction: The Case of MoSe2 Epitaxially Grown on Few-Layer Graphene MT Dau, M Gay, D Di Felice, C Vergnaud, A Marty, C Beigne, G Renaud, ...
ACS nano 12 (3), 2319-2331, 2018
52 2018 Toward the III–V/Si co-integration by controlling the biatomic steps on hydrogenated Si (001) M Martin, D Caliste, R Cipro, R Alcotte, J Moeyaert, S David, F Bassani, ...
Applied Physics Letters 109 (25), 253103, 2016
46 2016 Toward Moiré engineering in 2D materials via dislocation theory P Pochet, BC McGuigan, J Coraux, HT Johnson
Applied Materials Today 9, 240-250, 2017
44 2017 Revisiting the domain model for lithium intercalated graphite S Krishnan, G Brenet, E Machado-Charry, D Caliste, L Genovese, ...
Applied Physics Letters 103 (25), 251904, 2013
43 2013 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
41 2011 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
41 2010 