Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials K Laasonen, A Pasquarello, R Car, C Lee, D Vanderbilt
Physical Review B 47 (16), 10142, 1993
1686 1993 Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in waterM Tuckerman, K Laasonen, M Sprik, M Parrinello
The Journal of chemical physics 103 (1), 150-161, 1995
1009 1995 ‘‘Ab initio ’’ liquid water K Laasonen, M Sprik, M Parrinello, R Car
The Journal of chemical physics 99 (11), 9080-9089, 1993
779 1993 Ab initio molecular dynamics simulation of the solvation and transport of H3O+ and OH-ions in water M Tuckerman, K Laasonen, M Sprik, M Parrinello
The Journal of Physical Chemistry 99 (16), 5749-5752, 1995
729 1995 Implementation of ultrasoft pseudopotentials in ab initio molecular dynamics K Laasonen, R Car, C Lee, D Vanderbilt
Physical Review B 43 (8), 6796, 1991
593 1991 Ab initio molecular dynamics for d -electron systems: Liquid copper at 1500 KA Pasquarello, K Laasonen, R Car, C Lee, D Vanderbilt
Physical review letters 69 (13), 1982, 1992
447 1992 Single‐shell carbon‐encapsulated iron nanoparticles: synthesis and high electrocatalytic activity for hydrogen evolution reaction M Tavakkoli, T Kallio, O Reynaud, AG Nasibulin, C Johans, J Sainio, ...
Angewandte Chemie International Edition 54 (15), 4535-4538, 2015
354 2015 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
317 2017 Hydration of ab initio molecular dynamics simulation AP Lyubartsev, K Laasonen, A Laaksonen
The Journal of Chemical Physics 114 (7), 3120-3126, 2001
267 2001 Ab Initio Molecular Dynamics SimulationsME Tuckerman, PJ Ungar, T Von Rosenvinge, ML Klein
The Journal of Physical Chemistry 100 (31), 12878-12887, 1996
254 1996 Structural and electronic properties of La@ C82 K Laasonen, W Andreoni, M Parrinello
Science 258 (5090), 1916-1918, 1992
254 1992 Ab initio studies on the structural and dynamical properties of iceC Lee, D Vanderbilt, K Laasonen, R Car, M Parrinello
Physical Review B 47 (9), 4863, 1993
231 1993 Structures of small water clusters using gradient-corrected density functional theory K Laasonen, M Parrinello, R Car, C Lee, D Vanderbilt
Chemical physics letters 207 (2-3), 208-213, 1993
221 1993 Ab initio studies on high pressure phases of iceC Lee, D Vanderbilt, K Laasonen, R Car, M Parrinello
Physical review letters 69 (3), 462, 1992
164 1992 Electronic and geometric structure of La@ DM Poirier, M Knupfer, JH Weaver, W Andreoni, K Laasonen, M Parrinello, ...
Physical Review B 49 (24), 17403, 1994
161 1994 Competition between icosahedral motifs in AgCu, AgNi, and AgCo nanoalloys: a combined atomistic–DFT study K Laasonen, E Panizon, D Bochicchio, R Ferrando
The Journal of Physical Chemistry C 117 (49), 26405-26413, 2013
149 2013 Water dimer properties in the gradient-corrected density functional theory K Laasonen, F Csajka, M Parrinello
Chemical physics letters 194 (3), 172-174, 1992
148 1992 A density functional study on water‐sulfuric acid‐ammonia clusters and implications for atmospheric cluster formation T Kurtén, L Torpo, CG Ding, H Vehkamäki, MR Sundberg, K Laasonen, ...
Journal of Geophysical Research: Atmospheres 112 (D4), 2007
145 2007 Ab initio study of gas-phase sulphuric acid hydrates containing 1 to 3 water moleculesH Arstila, K Laasonen, A Laaksonen
The Journal of chemical physics 108 (3), 1031-1039, 1998
145 1998 Oxygen molecule dissociation on the Al (111) surface K Honkala, K Laasonen
Physical review letters 84 (4), 705, 2000
140 2000 
Nico HolmbergPhD Research Scientist (Computational Quantum Chemistry), Aalto UniversityBestätigte E-Mail-Adresse bei aalto.fi