Extended Tersoff potential for boron nitride: Energetics and elastic properties of pristine and defective -BN JH Los, JMH Kroes, K Albe, RM Gordillo, MI Katsnelson, A Fasolino
Physical Review B 96 (18), 184108, 2017
116 2017 Density functional based simulations of proton permeation of graphene and hexagonal boron nitride JMH Kroes, A Fasolino, MI Katsnelson
Physical Chemistry Chemical Physics 19 (8), 5813-5817, 2017
65 2017 Mechanism and free-energy barrier of the type-57 reconstruction of the zigzag edge of graphene JMH Kroes, MA Akhukov, JH Los, N Pineau, A Fasolino
Physical Review B 83 (16), 165411, 2011
50 2011 Exohedral hydrogen chemisorption on a carbon nanotube: the clustering effect W Andreoni, A Curioni, JMH Kroes, F Pietrucci, O Gröning
The Journal Of Physical Chemistry C 116 (1), 269-275, 2012
22 2012 The response of single-walled carbon nanotubes to NO2 and the search for a long-living adsorbed species JMH Kroes, F Pietrucci, K Chikkadi, C Roman, C Hierold, W Andreoni
Applied Physics Letters 108 (3), 2016
15 2016 Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride JMH Kroes, A Fasolino, MI Katsnelson
Physical Chemistry Chemical Physics 18 (28), 19359-19367, 2016
14 2016 Atomic oxygen chemisorption on carbon nanotubes revisited with theory and experiment JMH Kroes, F Pietrucci, A Curioni, R Jaafar, O Gröning, W Andreoni
The Journal of Physical Chemistry C 117 (4), 1948-1954, 2013
12 2013 Atom vacancies on a carbon nanotube: to what extent can we simulate their effects? JMH Kroes, F Pietrucci, ACT Van Duin, W Andreoni
Journal of chemical theory and computation 11 (7), 3393-3400, 2015
10 2015 Characterizing and understanding divalent adsorbates on carbon nanotubes with ab initio and classical approaches: size, chirality, and coverage effects JMH Kroes, F Pietrucci, A Curioni, W Andreoni
Journal of chemical theory and computation 10 (10), 4672-4683, 2014
6 2014 Graphene nanoribbons and edge reconstructions J Kroes, A Fasolino, G de Wijs
Annalisa Fasolino." Graphene nanoribbons and edge reconstructions", iMM May 15, 2010
6 2010 Correction: Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride JMH Kroes, A Fasolino, MI Katsnelson
Physical Chemistry Chemical Physics 19 (16), 10698-10698, 2017
1 2017 Carbon Nanotubes: Adsorption, Point Defects and Structural Deformation from Quantum and Classical Simulations J Kroes
EPFL, 2014
1 2014 ExTeP potential for BN developed by Los et al.(2017) v000 JH Los, J Kroes, K Albe, RM Gordillo, MI Katsnelson, A Fasolino
OpenKIM, 2022
2022 Robust multi-vendor breast region segmentation using deep learning K Dercksen, M Kallenberg, J Kroes
15th International Workshop on Breast Imaging (IWBI2020) 11513, 337-343, 2020
2020 Correction: Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride (vol 18, pg 19359, 2016) J Kroes, A Fasolino, MI Katsnelson
2017 Point Defects in Carbon Nanotubes: ab initio and Force-Fields Based Simulations J Kroes, F Pietrucci, A Curioni, W Andreoni
APS March Meeting Abstracts 2014, D37. 012, 2014
2014 Group ID U10183 J Kroes