| CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ... The Journal of Chemical Physics 152 (19), 194103, 2020 | 1091 | 2020 |
| Electrochemical activation of single-walled carbon nanotubes with pseudo-atomic-scale platinum for the hydrogen evolution reaction M Tavakkoli, N Holmberg, R Kronberg, H Jiang, J Sainio, EI Kauppinen, ... Acs Catalysis 7 (5), 3121-3130, 2017 | 267 | 2017 |
| Hydrogen adsorption on MoS 2-surfaces: A DFT study on preferential sites and the effect of sulfur and hydrogen coverage R Kronberg, M Hakala, N Holmberg, K Laasonen Physical Chemistry Chemical Physics 19 (24), 16231-16241, 2017 | 67 | 2017 |
| Ab Initio Electrochemistry: Exploring the Hydrogen Evolution Reaction on Carbon Nanotubes N Holmberg, K Laasonen The Journal of Physical Chemistry C 119 (28), 16166-16178, 2015 | 50 | 2015 |
| Efficient constrained density functional theory implementation for simulation of condensed phase electron transfer reactions N Holmberg, K Laasonen Journal of Chemical Theory and Computation 13 (2), 587-601, 2017 | 44 | 2017 |
| Charge distribution and Fermi level in bimetallic nanoparticles N Holmberg, K Laasonen, P Peljo Physical Chemistry Chemical Physics 18 (4), 2924-2931, 2016 | 40 | 2016 |
| Theoretical insight into the Hydrogen evolution activity of open-ended carbon nanotubes N Holmberg, K Laasonen The journal of physical chemistry letters 6 (19), 3956-3960, 2015 | 37 | 2015 |
| Ab initio kinetic Monte Carlo simulations of dissolution at the NaCl–water interface JC Chen, B Reischl, P Spijker, N Holmberg, K Laasonen, AS Foster Physical Chemistry Chemical Physics 16 (41), 22545-22554, 2014 | 31 | 2014 |
| Dissolution of NaCl nanocrystals: an ab initio molecular dynamics study N Holmberg, JC Chen, AS Foster, K Laasonen Physical Chemistry Chemical Physics 16 (33), 17437-17446, 2014 | 27 | 2014 |
| Molecular resolution of the water interface at an alkali halide with terraces and steps F Ito, K Kobayashi, P Spijker, L Zivanovic, K Umeda, T Nurmi, N Holmberg, ... The Journal of Physical Chemistry C 120 (35), 19714-19722, 2016 | 21 | 2016 |
| Ion Transport through a Water–Organic Solvent Liquid–Liquid Interface: A Simulation Study N Holmberg, M Sammalkorpi, K Laasonen The Journal of Physical Chemistry B 118 (22), 5957-5970, 2014 | 19 | 2014 |
| Diabatic model for electrochemical hydrogen evolution based on constrained DFT configuration interaction N Holmberg, K Laasonen The Journal of Chemical Physics 149 (10), 104702, 2018 | 11 | 2018 |
| CP2K TD Kuehne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ... American Institute of Physics, 2020 | | 2020 |
| Hydrogen Evolution Reaction on Carbon Nanotubes: Insights from Electronic Structure Theory N Holmberg Aalto University, 2018 | | 2018 |
| Tiheysfunktionaaliteoreettinen tutkimus vedynkehitysreaktiosta typpidoupatulla hiilinanoputkella N Holmberg | | 2014 |
| Heterogeenisen pintakatalyysin suunnittelu laskennallisesti N Holmberg | | 2012 |
| Ab initio molecular dynamics simulation of the platinum/water interface: Further insights into structure and electrocatalysis R Kronberg, N Holmberg, K Laasonen | | |
| Molecular level modelling of electrochemical reactions K Laasonen, N Holmberg, R Kronberg, G Murdachaew, M Hakala, ... | | |
| Constrained DFT and its applications in electrochemistry N Holmberg, K Laasonen | | |
| Supporting information for: Charge Distribution and Fermi Level in Bimetallic Nanoparticles N Holmberg, K Laasonen, P Peljo | | |
Kari LaasonenProfessort of Physical Chemistry, Aalto University, FinlandVahvistettu sähköpostiosoite verkkotunnuksessa aalto.fi
