Artikel mit Open-Access-Mandaten - Hannes JónssonWeitere Informationen
Nicht verfügbar: 15
Mechanism and activation energy of magnetic skyrmion annihilation obtained from minimum energy path calculations
IS Lobanov, H Jónsson, VM Uzdin
Physical Review B 94 (17), 174418, 2016
Mandate: Academy of Finland, Icelandic Centre for Research
Variational, self-consistent implementation of the Perdew–Zunger self-interaction correction with complex optimal orbitals
S Lehtola, H Jonsson
Journal of chemical theory and computation 10 (12), 5324-5337, 2014
Mandate: Academy of Finland
Effect of complex-valued optimal orbitals on atomization energies with the Perdew–Zunger self-interaction correction to density functional theory
S Lehtola, EO Jonsson, H Jonsson
Journal of chemical theory and computation 12 (9), 4296-4302, 2016
Mandate: Academy of Finland
Improved minimum mode following method for finding first order saddle points
M Plasencia Gutiérrez, C Argaez, H Jonsson
Journal of chemical theory and computation 13 (1), 125-134, 2017
Mandate: Academy of Finland, Icelandic Centre for Research
Long-Time scale simulations of tunneling-Assisted diffusion of hydrogen on Ice surfaces at low temperature
V Ásgeirsson, H Jónsson, KT Wikfeldt
The Journal of Physical Chemistry C 121 (3), 1648-1657, 2017
Mandate: Icelandic Centre for Research
Observation of Structural Wavepacket Motion: The Umbrella Mode in Rydberg-Excited N-Methyl Morpholine
Y Zhang, S Deb, H Jónsson, PM Weber
The journal of physical chemistry letters 8 (16), 3740-3744, 2017
Mandate: US National Science Foundation, Icelandic Centre for Research
Self-interaction corrected density functional calculations of Rydberg states of molecular clusters: N, N-dimethylisopropylamine
H Gudmundsdóttir, Y Zhang, PM Weber, H Jónsson
The Journal of chemical physics 141 (23), 2014
Mandate: Icelandic Centre for Research
Self-interaction corrected functional calculations of a dipole-bound molecular anion
Y Zhang, PM Weber, H Jónsson
The Journal of Physical Chemistry Letters 7 (11), 2068-2073, 2016
Mandate: US National Science Foundation, Academy of Finland, Icelandic Centre for …
Exploring potential energy surfaces with saddle point searches
V Ásgeirsson, H Jónsson
Handbook of Materials Modeling: Methods: Theory and Modeling, 689-714, 2020
Mandate: Academy of Finland, Icelandic Centre for Research
Competing HCOOH and CO Pathways in CO2 Electroreduction at Copper Electrodes: Calculations of Voltage-Dependent Activation Energy
M Van den Bossche, C Rose-Petruck, H Jonsson
The Journal of Physical Chemistry C 125 (25), 13802-13808, 2021
Mandate: US National Science Foundation, Icelandic Centre for Research
Polarizable Embedding with a Transferable H2O Potential Function I: Formulation and Tests on Dimer
EO Jonsson, AO Dohn, H Jonsson
Journal of Chemical Theory and Computation 15 (12), 6562-6577, 2019
Mandate: Villum Foundation, Icelandic Centre for Research
Stability of magnetic skyrmions: Systematic calculations of the effect of size from nanometer scale to microns
MN Potkina, IS Lobanov, H Jónsson, VM Uzdin
Physical Review B 107 (18), 184414, 2023
Mandate: Icelandic Centre for Research
Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426
J Kloppenburg, A Pedersen, K Laasonen, MA Caro, H Jónsson
Nanoscale 14 (25), 9053-9060, 2022
Mandate: Academy of Finland, Icelandic Centre for Research
Observation of electric-field-induced liberation of guest molecules from clathrate hydrate
Z Li, M Lyu, H Jónsson, C Rose-Petruck
The Journal of Physical Chemistry Letters 12 (42), 10410-10416, 2021
Mandate: US National Science Foundation, Icelandic Centre for Research
Kinetic Monte Carlo Simulation Studies of the Shape of Islands on Close-Packed Surfaces
GS Sun, H Jónsson
Journal of The Electrochemical Society 169 (10), 102503, 2022
Mandate: Icelandic Centre for Research
Verfügbar: 119
NWChem: Past, present, and future
E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ...
The Journal of chemical physics 152 (18), 2020
Mandate: US Department of Energy, US Department of Defense
Improved initial guess for minimum energy path calculations
S Smidstrup, A Pedersen, K Stokbro, H Jónsson
The Journal of chemical physics 140 (21), 2014
Mandate: Icelandic Centre for Research
Global transition path search for dislocation formation in Ge on Si (001)
E Maras, O Trushin, A Stukowski, T Ala-Nissila, H Jonsson
Computer Physics Communications 205, 13-21, 2016
Mandate: Academy of Finland
Calculations of Product Selectivity in Electrochemical CO2 Reduction
J Hussain, H Jónsson, E Skúlason
Acs Catalysis 8 (6), 5240-5249, 2018
Mandate: Academy of Finland, Icelandic Centre for Research
Predicting catalysis: understanding ammonia synthesis from first-principles calculations
A Hellman, EJ Baerends, M Biczysko, T Bligaard, CH Christensen, ...
The Journal of Physical Chemistry B 110 (36), 17719-17735, 2006
Mandate: Deutsche Forschungsgemeinschaft
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