Combining the Bethe-Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples
Boulanger P, Chibani S, Le Guennic B, Duchemin I, Blase X and Jacquemin D
Journal of Chemical Theory and Computation 10 (2014) 4548-4556
http://dx.doi.org/10.1021/ct500552e

Fast and Accurate Electronic Excitations in Cyanines with the Many-Body Bethe-Salpeter Approach
Boulanger P, Jacquemin D, Duchemin I and Blase X
Journal of Chemical Theory and Computation 10 (2014) 1212-1218
http://dx.doi.org/10.1021/ct401101u

A highly selective non-radical diazo coupling provides low cost semi-conducting carbon nanotubes
Darchy L, Hanifi N, Vialla F, Voisin C, Bayle P-A, Genovese L, Celle C, Simonato J-P, Filoramo A, Derycke V, et al.
Carbon 66 (2014) 246-258
http://dx.doi.org/10.1016/j.carbon.2013.08.064

Nitrogen segregation in nanocarbons
Ewels CP, Erbahar D, Wagner P, Rocquefelte X, Arenal R, Pochet P, Rayson M, Scardamaglia M, Bittencourt C and Briddon PR
Faraday Discussions 173 (2014) 215-232
http://dx.doi.org/10.1039/c4fd00111g

Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms
Faber C, Boulanger P, Attaccalite C, Duchemin I and Blase X
Philosophical Transactions of the Royal Society a-Mathematical Physical and Engineering Sciences 372 (2014) 20130271
http://dx.doi.org/10.1098/rsta.2013.0271

Energetic and vibrational analysis of hydrogenated silicon m vacancies above saturation
Ghasemi SA, Lenosky TJ, Amsler M, Sadeghi A, Genovese L and Goedecker S
Physical Review B 90 (2014) 054117
http://dx.doi.org/10.1103/PhysRevB.90.054117

Benchmark Many-Body GW and Bethe-SalpeterCalculations for Small Transition Metal Molecules
Koerbel S, Boulanger P, Duchemin I, Blase X, Marques MAL and Botti S
Journal of Chemical Theory and Computation 10 (2014) 3934-3943
http://dx.doi.org/10.1021/ct5003658

Hole mobility in Ge/Si core/shell nanowires: What could be the optimum?
Li J, Jomaa N, Niquet Y-M, Said M and Delerue C
Applied Physics Letters 105 (2014) 233104
http://dx.doi.org/10.1063/1.4903475

Boron aggregation in the ground states of boron-carbon fullerenes
Mohr S, Pochet P, Amsler M, Schaefer B, Sadeghi A, Genovese L and Goedecker S
Physical Review B 89 (2014) 041404
http://dx.doi.org/10.1103/PhysRevB.89.041404

Daubechies wavelets for linear scaling density functional theory
Mohr S, Ratcliff LE, Boulanger P, Genovese L, Caliste D, Deutsch T and Goedecker S
Journal of Chemical Physics 140 (2014) 204110
http://dx.doi.org/10.1063/1.4871876

Conduction gap in graphene strain junctions: direction dependence
Nguyen MC, Nguyen VH, Huy-Viet N and Dollfus P
Semiconductor Science and Technology 29 (2014) 115024
http://dx.doi.org/10.1088/0268-1242/29/11/115024

Improved performance of graphene transistors by strain engineering
Nguyen VH, Huy-Viet N and Dollfus P
Nanotechnology 25 (2014) 165201
http://dx.doi.org/10.1088/0957-4484/25/16/165201

The interplay between the Aharonov-Bohm interference and parity selective tunneling in graphene nanoribbon rings
Nguyen VH, Niquet YM and Dollfus P
Journal of Physics-Condensed Matter 26 (2014) 205301
http://dx.doi.org/10.1088/0953-8984/26/20/205301

Quantum Modeling of the Carrier Mobility in FDSOI Devices
Nguyen V-H, Niquet Y-M, Triozon F, Duchemin I, Nier O and Rideau D
IEEE Transactions on Electron Devices 61 (2014) 3096-3102
http://dx.doi.org/10.1109/ted.2014.2337713

Quantum calculations of the carrier mobility: Methodology, Matthiessen's rule, and comparison with semi-classical approaches
Niquet Y-M, Viet-Hung N, Triozon F, Duchemin I, Nier O and Rideau D
Journal of Applied Physics 115 (2014) 054512
http://dx.doi.org/10.1063/1.4864376

Nitrogen implantation of suspended graphene flakes: Annealing effects and selectivity of sp(2) nitrogen species
Scardamaglia M, Aleman B, Amati M, Ewels C, Pochet P, Reckinger N, Colomer JF, Skaltsas T, Tagmatarchis N, Snyders R, et al.
Carbon 73 (2014) 371-381
http://dx.doi.org/10.1016/j.carbon.2014.02.078

Minima hopping guided path search: An efficient method for finding complex chemical reaction pathways
Schaefer B, Mohr S, Amsler M and Goedecker S
Journal of Chemical Physics 140 (2014) 214102
http://dx.doi.org/10.1063/1.4878944

X-ray magnetic circular dichroism in (Ge,Mn) compounds: Experiments and modeling
Tardif S, Titov A, Arras E, Slipukhina I, Hlil E-K, Cherifi S, Joly Y, Jamet M, Barski A, Cibert J, et al.
Journal of Magnetism and Magnetic Materials 354 (2014) 151-158
http://dx.doi.org/10.1016/j.jmmm.2013.10.037

Magnetotransport Subband Spectroscopy in InAs Nanowires
Vigneau F, Prudkovkiy V, Duchemin I, Escoffier W, Caroff P, Niquet Y-M, Leturcq R, Goiran M and Raquet B
Physical Review Letters 112 (2014) 076801
http://dx.doi.org/10.1103/PhysRevLett.112.076801

Control of the ionization state of three single donor atoms in silicon
Voisin B, Cobian M, Jehl X, Vinet M, Niquet YM, Delerue C, De Franceschi S and Sanquer M
Physical Review B 89 (2014) 161404
http://dx.doi.org/10.1103/PhysRevB.89.161404

Few-Electron Edge-State Quantum Dots in a Silicon Nanowire Field-Effect Transistor
Voisin B, Viet-Hung N, Renard J, Jehl X, Barraud S, Triozon F, Vinet M, Duchemin I, Niquet Y-M, de Franceschi S, et al.
Nano Letters 14 (2014) 2094-2098
http://dx.doi.org/10.1021/nl500299h

Defect-induced magnetism in graphite through neutron irradiation
Wang Y, Pochet P, Jenkins CA, Arenholz E, Bukalis G, Gemming S, Helm M and Zhou S
Physical Review B 90 (2014) 214435
http://dx.doi.org/10.1103/PhysRevB.90.214435

Boron and nitrogen codoping effect on transport properties of carbon nanotubes
Zoubkoff R, Triozon F, Niquet YM and Latil S
Physical Review B 90 (2014) 125418
http://dx.doi.org/10.1103/PhysRevB.90.125418