Hannes Jónsson
Hannes Jónsson
Professor, Faculty of Physical Sciences, University of Iceland
Verifierad e-postadress på hi.is - Startsida
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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
113802000
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
60572000
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
58582006
Origin of the overpotential for oxygen reduction at a fuel-cell cathode
JK Nørskov, J Rossmeisl, A Logadottir, L Lindqvist, JR Kitchin, T Bligaard, ...
The Journal of Physical Chemistry B 108 (46), 17886-17892, 2004
54582004
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
21781999
Reversible work transition state theory: application to dissociative adsorption of hydrogen
G Mills, H Jónsson, GK Schenter
Surface Science 324 (2-3), 305-337, 1995
19941995
Nudged elastic band method for finding minimum energy paths of transitions
H Jónsson, G Mills, KW Jacobsen
13861998
Systematic analysis of local atomic structure combined with 3D computer graphics
D Faken, H Jónsson
Computational Materials Science 2 (2), 279-286, 1994
8731994
Quantum and thermal effects in dissociative adsorption: Evaluation of free energy barriers in multidimensional quantum systems
G Mills, H Jónsson
Physical review letters 72 (7), 1124, 1994
8391994
Modeling the electrochemical hydrogen oxidation and evolution reactions on the basis of density functional theory calculations
E Skúlason, V Tripkovic, ME Björketun, S Gudmundsdottir, G Karlberg, ...
The Journal of Physical Chemistry C 114 (42), 18182-18197, 2010
7102010
A theoretical evaluation of possible transition metal electro-catalysts for N 2 reduction
E Skulason, T Bligaard, S Gudmundsdóttir, F Studt, J Rossmeisl, ...
Physical Chemistry Chemical Physics 14 (3), 1235-1245, 2012
5892012
Icosahedral ordering in the Lennard-Jones liquid and glass
H Jónsson, HC Andersen
Physical review letters 60 (22), 2295, 1988
5731988
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt (111) electrode
E Skúlason, GS Karlberg, J Rossmeisl, T Bligaard, J Greeley, H Jónsson, ...
Physical Chemistry Chemical Physics 9 (25), 3241-3250, 2007
5582007
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
4642001
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
4512004
Structural changes accompanying densification of random hard-sphere packings
AS Clarke, H Jónsson
Physical Review E 47 (6), 3975, 1993
4401993
Methods for finding saddle points and minimum energy paths
G Henkelman, G Jóhannesson, H Jónsson
Theoretical methods in condensed phase chemistry, 269-302, 2002
3782002
Molecular multipole moments of water molecules in ice Ih
ER Batista, SS Xantheas, H Jónsson
The Journal of chemical physics 109 (11), 4546-4551, 1998
2041998
Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory
A Valdes, J Brillet, M Grätzel, H Gudmundsdottir, HA Hansen, H Jonsson, ...
Physical Chemistry Chemical Physics 14 (1), 49-70, 2012
1972012
Improved initial guess for minimum energy path calculations
S Smidstrup, A Pedersen, K Stokbro, H Jónsson
The Journal of chemical physics 140 (21), 214106, 2014
1792014
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Artiklar 1–20