| A climbing image nudged elastic band method for finding saddle points and minimum energy paths G Henkelman, BP Uberuaga, H Jónsson The Journal of chemical physics 113 (22), 9901-9904, 2000 | 10911 | 2000 |
| Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points G Henkelman, H Jónsson The Journal of chemical physics 113 (22), 9978-9985, 2000 | 5835 | 2000 |
| A fast and robust algorithm for Bader decomposition of charge density G Henkelman, A Arnaldsson, H Jónsson Computational Materials Science 36 (3), 354-360, 2006 | 5670 | 2006 |
| A grid-based Bader analysis algorithm without lattice bias W Tang, E Sanville, G Henkelman Journal of Physics: Condensed Matter 21 (8), 084204, 2009 | 4194 | 2009 |
| Improved grid‐based algorithm for Bader charge allocation E Sanville, SD Kenny, R Smith, G Henkelman Journal of computational chemistry 28 (5), 899-908, 2007 | 2369 | 2007 |
| A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives G Henkelman, H Jónsson The Journal of chemical physics 111 (15), 7010-7022, 1999 | 2111 | 1999 |
| Optimization methods for finding minimum energy paths D Sheppard, R Terrell, G Henkelman The Journal of chemical physics 128 (13), 134106, 2008 | 1256 | 2008 |
| A generalized solid-state nudged elastic band method D Sheppard, P Xiao, W Chemelewski, DD Johnson, G Henkelman The Journal of chemical physics 136 (7), 074103, 2012 | 511 | 2012 |
| Long time scale kinetic Monte Carlo simulations without lattice approximation and predefined event table G Henkelman, H Jónsson The Journal of Chemical Physics 115 (21), 9657-9666, 2001 | 455 | 2001 |
| Comparison of methods for finding saddle points without knowledge of the final states RA Olsen, GJ Kroes, G Henkelman, A Arnaldsson, H Jónsson The Journal of chemical physics 121 (20), 9776-9792, 2004 | 446 | 2004 |
| CO Oxidation Mechanism on CeO2-Supported Au Nanoparticles HY Kim, HM Lee, G Henkelman Journal of the American Chemical Society 134 (3), 1560-1570, 2012 | 414 | 2012 |
| Removal of Interstitial H2O in Hexacyanometallates for a Superior Cathode of a Sodium-Ion Battery J Song, L Wang, Y Lu, J Liu, B Guo, P Xiao, JJ Lee, XQ Yang, ... Journal of the American Chemical Society 137 (7), 2658-2664, 2015 | 381 | 2015 |
| Lithium Insertion in Nanostructured TiO2(B) Architectures AG Dylla, G Henkelman, KJ Stevenson Accounts of chemical research 46 (5), 1104-1112, 2013 | 380 | 2013 |
| Methods for finding saddle points and minimum energy paths G Henkelman, G Jóhannesson, H Jónsson Theoretical methods in condensed phase chemistry, 269-302, 2002 | 374 | 2002 |
| A Systematic Investigation of p-Nitrophenol Reduction by Bimetallic Dendrimer Encapsulated Nanoparticles ZD Pozun, SE Rodenbusch, E Keller, K Tran, W Tang, KJ Stevenson, ... The Journal of Physical Chemistry C 117 (15), 7598-7604, 2013 | 336 | 2013 |
| Calculations of Li-ion diffusion in olivine phosphates GKP Dathar, D Sheppard, KJ Stevenson, G Henkelman Chemistry of Materials 23 (17), 4032-4037, 2011 | 214 | 2011 |
| Water-enhanced low-temperature CO oxidation and isotope effects on atomic oxygen-covered Au (111) RA Ojifinni, NS Froemming, J Gong, M Pan, TS Kim, JM White, ... Journal of the American chemical society 130 (21), 6801-6812, 2008 | 170 | 2008 |
| Theoretical calculations of CH4 and H2 associative desorption from Ni (111): Could subsurface hydrogen play an important role? G Henkelman, A Arnaldsson, H Jónsson The Journal of chemical physics 124, 044706, 2006 | 165 | 2006 |
| Charge redistribution in core-shell nanoparticles to promote oxygen reduction W Tang, G Henkelman The Journal of chemical physics 130 (19), 194504, 2009 | 156 | 2009 |
| Design of Pt-shell nanoparticles with alloy cores for the oxygen reduction reaction L Zhang, R Iyyamperumal, DF Yancey, RM Crooks, G Henkelman ACS nano 7 (10), 9168-9172, 2013 | 144 | 2013 |
Hannes JónssonProfessor, Faculty of Physical Sciences, University of IcelandVerified email at hi.is
