| 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 | 126 | 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 | 66 | 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—Condensed Matter and Materials Physics 83 (16), 165411, 2011 | 49 | 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 | 15 | 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 | 11 | 2015 |
| Graphene nanoribbons and edge reconstructions J Kroes, A Fasolino, G de Wijs Annalisa Fasolino." Graphene nanoribbons and edge reconstructions", iMM May 15, 2010 | 7 | 2010 |
| 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 |
| 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 | | |
