| The ReaxFF reactive force-field: development, applications and future directions TP Senftle, S Hong, MM Islam, SB Kylasa, Y Zheng, YK Shin, ... npj Computational Materials 2 (1), 1-14, 2016 | 1707 | 2016 |
| Properties of Fluorinated Graphene Films JT Robinson, JS Burgess, CE Junkermeier, SC Badescu, TL Reinecke, ... Nano Letters 10, 3001–3005, 2010 | 1276 | 2010 |
| Chemical gradients on graphene to drive droplet motion SC Hernandez, CJC Bennett, CE Junkermeier, SD Tsoi, FJ Bezares, ... Acs Nano 7 (6), 4746-4755, 2013 | 157 | 2013 |
| Engineering graphene mechanical systems MK Zalalutdinov, JT Robinson, CE Junkermeier, JC Culbertson, ... Nano letters 12 (8), 4212-4218, 2012 | 82 | 2012 |
| Adsorption of NH2 on Graphene in the Presence of Defects and Adsorbates CE Junkermeier, D Solenov, TL Reinecke The Journal of Physical Chemistry C 117 (6), 2793-2798, 2013 | 49 | 2013 |
| Fullerenes generated from porous structures R Paupitz, CE Junkermeier, ACT van Duin, PS Branicio Physical Chemistry Chemical Physics 16 (46), 25515-25522, 2014 | 43 | 2014 |
| Low frequency impedance behavior of montmorillonite suspensions: Polarization mechanisms in the low frequency domain LM Dudley, S Bialkowski, D Or, C Junkermeier Soil Science Society of America Journal 67 (2), 518-526, 2003 | 35 | 2003 |
| Amorphous nature of small CdS nanoparticles: molecular dynamics simulations CE Junkermeier, JP Lewis, GW Bryant Physical Review B 79 (12), 125323, 2009 | 33 | 2009 |
| Development of a ReaxFF force field for Cu/S/C/H and reactive MD simulations of methyl thiolate decomposition on Cu (100) J Yeon, HL Adams, CE Junkermeier, ACT Van Duin, WT Tysoe, A Martini The Journal of Physical Chemistry B 122 (2), 888-896, 2018 | 32 | 2018 |
| Underwater adhesive using solid–liquid polymer mixes AC Chipara, T Tsafack, PS Owuor, J Yeon, CE Junkermeier, ... Materials today chemistry 9, 149-157, 2018 | 28 | 2018 |
| Tunable adsorbate-adsorbate interactions on graphene D Solenov, C Junkermeier, TL Reinecke, KA Velizhanin Physical Review Letters 111 (11), 115502, 2013 | 26 | 2013 |
| Ab initio tight-binding analysis of CdS nanocrystals CE Junkermeier, JP Lewis, GW Bryant Physical Review B 77 (20), 205125, 2008 | 15 | 2008 |
| Porous graphene and graphenylene nanotubes: Electronic structure and strain effects GSL Fabris, CE Junkermeier, R Paupitz Computational Materials Science 140, 344-355, 2017 | 10 | 2017 |
| ReaxFF molecular dynamics simulations of intermediate species in dicyanamide anion and nitric acid hypergolic combustion MR Weismiller, CE Junkermeier, MF Russo, MR Salazar, D Bedrov, ... Modelling and Simulation in Materials Science and Engineering 23 (7), 074007, 2015 | 10 | 2015 |
| Highly fluorinated graphene CE Junkermeier, SC Badescu, TL Reinecke arXiv preprint arXiv:1302.6878, 2013 | 9 | 2013 |
| Structural transformations in chemically modified graphene JT Robinson, MK Zalalutdinov, CE Junkermeier, JC Culbertson, ... Solid state communications 152 (21), 1990-1998, 2012 | 9 | 2012 |
| N-Carbophenes: two-dimensional covalent organic frameworks derived from linear N-phenylenes CE Junkermeier, JP Luben, R Paupitz Materials Research Express 6 (11), 115103, 2019 | 8 | 2019 |
| Ground state determination and band gaps of bilayers of graphenylenes and octafunctionalized-biphenylenes CE Junkermeier, R Paupitz Computational Materials Science 164, 31-38, 2019 | 6 | 2019 |
| Covalent adsorption of functional groups on [N]-carbophenes CE Junkermeier, G Psofogiannakis, R Paupitz Materials Research Express 9 (2), 025602, 2022 | 4 | 2022 |
| A web-deployed interface for performing ab initio molecular dynamics, optimization, and electronic structure in Fireball JB Keith, JR Fennick, CE Junkermeier, DR Nelson, JP Lewis Computer Physics Communications 180 (3), 418-426, 2009 | 4 | 2009 |
Adri van DuinDistinguished Professor of Mechanical Engineering, Penn State UniversityE-mail confirmado em psu.edu
