| Nudged elastic band method for molecular reactions using energy-weighted springs combined with eigenvector following V Ásgeirsson, BO Birgisson, R Bjornsson, U Becker, F Neese, C Riplinger, ... Journal of chemical theory and computation 17 (8), 4929-4945, 2021 | 153 | 2021 |
| Nudged elastic band calculations accelerated with Gaussian process regression OP Koistinen, FB Dagbjartsdóttir, V Ásgeirsson, A Vehtari, H Jónsson The Journal of chemical physics 147 (15), 2017 | 139 | 2017 |
| Quantum chemical calculation of electron ionization mass spectra for general organic and inorganic molecules V Ásgeirsson, CA Bauer, S Grimme Chemical Science 8 (7), 4879-4895, 2017 | 104 | 2017 |
| Nudged elastic band calculations accelerated with Gaussian process regression based on inverse interatomic distances OP Koistinen, V Ásgeirsson, A Vehtari, H Jónsson Journal of chemical theory and computation 15 (12), 6738-6751, 2019 | 53 | 2019 |
| Efficient evaluation of atom tunneling combined with electronic structure calculations V Ásgeirsson, A Arnaldsson, H Jónsson The Journal of Chemical Physics 148 (10), 2018 | 27 | 2018 |
| 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 | 22 | 2017 |
| Unimolecular decomposition pathways of negatively charged nitriles by ab initio molecular dynamics V Ásgeirsson, CA Bauer, S Grimme Physical Chemistry Chemical Physics 18 (45), 31017-31026, 2016 | 19 | 2016 |
| Exploring potential energy surfaces with saddle point searches V Ásgeirsson, H Jónsson Handbook of Materials Modeling: Methods: Theory and Modeling, 689-714, 2020 | 16 | 2020 |
| Minimum mode saddle point searches using Gaussian process regression with inverse-distance covariance function OP Koistinen, V Ásgeirsson, A Vehtari, H Jónsson Journal of Chemical Theory and Computation 16 (1), 499-509, 2019 | 16 | 2019 |
| Localized and delocalized states of a diamine cation: resolution of a controversy M Gałyńska, V Asgeirsson, H Jonsson, R Bjornsson The Journal of Physical Chemistry Letters 12 (4), 1250-1255, 2021 | 4 | 2021 |
| QCEIMS 4.0 Installation Guide & Manual J Koopman, C Bauer, V Ásgeirsson, S Grimme | 1 | 2020 |
| Improved Initialization of Optimal Path Calculations Using Sequential Traversal over the Image-Dependent Pair Potential Surface YLA Schmerwitz, V Ásgeirsson, H Jónsson Journal of Chemical Theory and Computation 20 (1), 155-163, 2023 | | 2023 |
| Localized and delocalized states of a diamine cation: A critical test of wave function methods M Gałyńska, V Ásgeirsson, H Jónsson, R Björnsson arXiv preprint arXiv:2007.06125, 2020 | | 2020 |
| Finding minimum energy paths using Gaussian process regression OP Koistinen, FB Dagbjartsdóttir, V Ásgeirsson, A Vehtari, H Jónsson IEEE Conference on Neural Information Processing Systems, 2017 | | 2017 |
| Atóm ferlar á ísyfirborðum í sameindaskýjum V Ásgeirsson | | |
Hannes JónssonProfessor, Faculty of Physical Sciences, University of IcelandVerified email at hi.is
