| The atomic simulation environment—a Python library for working with atoms AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ... Journal of Physics: Condensed Matter 29 (27), 273002, 2017 | 5320 | 2017 |
| Electronic structure calculations with GPAW: a real-space implementation of the projectoraugmented-wave method J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Dułak, L Ferrighi, ... Journal of physics: Condensed matter 22 (25), 253202, 2010 | 2669 | 2010 |
| A unified view of ligand-protected gold clusters as superatom complexes M Walter, J Akola, O Lopez-Acevedo, PD Jadzinsky, G Calero, ... Proceedings of the National Academy of Sciences 105 (27), 9157-9162, 2008 | 1864 | 2008 |
| On the structure of thiolate-protected Au25 J Akola, M Walter, RL Whetten, H Häkkinen, H Grönbeck Journal of the American Chemical Society 130 (12), 3756-3757, 2008 | 817 | 2008 |
| Divide and protect: capping gold nanoclusters with molecular gold− thiolate rings H Häkkinen, M Walter, H Grönbeck The journal of physical chemistry B 110 (20), 9927-9931, 2006 | 505 | 2006 |
| Time-dependent density-functional theory in the projector augmented-wave method M Walter, H Häkkinen, L Lehtovaara, M Puska, J Enkovaara, C Rostgaard, ... The journal of chemical physics 128 (24), 2008 | 265 | 2008 |
| GPAW: An open Python package for electronic structure calculations JJ Mortensen, AH Larsen, M Kuisma, AV Ivanov, A Taghizadeh, ... The Journal of Chemical Physics 160 (9), 2024 | 249 | 2024 |
| Photo-double ionization of molecular hydrogen M Walter, J Briggs Journal of Physics B: Atomic, Molecular and Optical Physics 32 (11), 2487, 1999 | 176 | 1999 |
| Quantum well states in two-dimensional gold clusters on MgO thin films X Lin, N Nilius, HJ Freund, M Walter, P Frondelius, K Honkala, ... Physical review letters 102 (20), 206801, 2009 | 152 | 2009 |
| Theoretical characterization of cyclic thiolated gold clusters H Grönbeck, M Walter, H Häkkinen Journal of the American Chemical Society 128 (31), 10268-10275, 2006 | 146 | 2006 |
| Hydrogen treated anatase TiO 2: a new experimental approach and further insights from theory M Mehta, N Kodan, S Kumar, A Kaushal, L Mayrhofer, M Walter, ... Journal of Materials Chemistry A 4 (7), 2670-2681, 2016 | 141 | 2016 |
| Thiolate-Protected Au25 Superatoms as Building Blocks: Dimers and Crystals J Akola, KA Kacprzak, O Lopez-Acevedo, M Walter, H Gronbeck, ... The Journal of Physical Chemistry C 114 (38), 15986-15994, 2010 | 130 | 2010 |
| A hollow tetrahedral cage of hexadecagold dianion provides a robust backbone for a tuneable sub-nanometer oxidation and reduction agent via endohedral doping M Walter, H Häkkinen Physical Chemistry Chemical Physics 8 (46), 5407-5411, 2006 | 115 | 2006 |
| Simplified continuum solvent model with a smooth cavity based on volumetric data A Held, M Walter The Journal of Chemical Physics 141 (17), 2014 | 109 | 2014 |
| Ligand-protected gold alloy clusters: doping the superatom M Walter, M Moseler The Journal of Physical Chemistry C 113 (36), 15834-15837, 2009 | 109 | 2009 |
| Synthesis, stabilization, functionalization and, DFT calculations of gold nanoparticles in fluorous phases (PTFE and ionic liquids) E Redel, M Walter, R Thomann, C Vollmer, L Hussein, H Scherer, ... Chemistry–A European Journal 15 (39), 10047-10059, 2009 | 106 | 2009 |
| Stop-and-go, stepwise and “ligand-free” nucleation, nanocrystal growth and formation of Au-NPs in ionic liquids (ILs) E Redel, M Walter, R Thomann, L Hussein, M Krüger, C Janiak Chemical communications 46 (7), 1159-1161, 2010 | 95 | 2010 |
| Ab initio study of CO2 hydrogenation mechanisms on inverse ZnO/Cu catalysts T Reichenbach, K Mondal, M Jäger, T Vent-Schmidt, D Himmel, V Dybbert, ... Journal of Catalysis 360, 168-174, 2018 | 91 | 2018 |
| A mechanochromic donor-acceptor torsional spring M Raisch, W Maftuhin, M Walter, M Sommer Nature Communications 12 (1), 4243, 2021 | 90 | 2021 |
| Activation and mechanochemical breaking of C–C bonds initiate wear of diamond (110) surfaces in contact with silica A Peguiron, G Moras, M Walter, H Uetsuka, L Pastewka, M Moseler Carbon 98, 474-483, 2016 | 90 | 2016 |
hannu häkkinenprofessor, University of JyvaskylaVerified email at jyu.fi
