| Density Functional Theory description of the order-disorder transformation in Fe-Ni LY Tian, H Levämäki, O Eriksson, K Kokko, Á Nagy, EK Délczeg-Czirják, ... Scientific Reports 9 (1), 8172, 2019 | 28 | 2019 |
| Flexibility of the quasi-non-uniform exchange-correlation approximation H Levämäki, MPJ Punkkinen, K Kokko, L Vitos Physical Review B 89 (11), 115107, 2014 | 28 | 2014 |
| Predicting elastic properties of hard-coating alloys using ab-initio and machine learning methods H Levämäki, F Tasnadi, DG Sangiovanni, LJS Johnson, R Armiento, ... npj Computational Materials 8 (1), 17, 2022 | 24 | 2022 |
| Does Bi form clusters in GaAs1− xBi x alloys? MPJ Punkkinen, P Laukkanen, M Kuzmin, H Levämäki, J Lång, ... Semiconductor Science and Technology 29 (11), 115007, 2014 | 22 | 2014 |
| Quasi-non-uniform gradient-level exchange-correlation approximation for metals and alloys H Levämäki, MPJ Punkkinen, K Kokko, L Vitos Physical Review B 86 (20), 201104, 2012 | 20 | 2012 |
| Formation and destabilization of Ga interstitials in GaAsN: Experiment and theory P Laukkanen, MPJ Punkkinen, J Puustinen, H Levämäki, M Tuominen, ... Physical Review B 86 (19), 195205, 2012 | 17 | 2012 |
| Exchange-correlation catastrophe in Cu-Au: a challenge for semilocal density functional approximations LY Tian, H Levämäki, M Ropo, K Kokko, A Nagy, L Vitos Physical Review Letters 117 (6), 066401, 2016 | 16 | 2016 |
| Adhesion of the iron–chromium oxide interface from first-principles theory MPJ Punkkinen, K Kokko, H Levämäki, M Ropo, S Lu, L Delczeg, ... Journal of Physics: Condensed Matter 25 (49), 495501, 2013 | 15 | 2013 |
| Alternative to the Kohn-Sham equations: The Pauli potential differential equation H Levämäki, A Nagy, K Kokko, L Vitos Physical Review A 92 (6), 062502, 2015 | 12 | 2015 |
| Cusp relation for the Pauli potential H Levämäki, Á Nagy, K Kokko, L Vitos Physical Review A 90 (6), 062515, 2014 | 12 | 2014 |
| Density functional theory description of random Cu-Au alloys LY Tian, H Levämäki, M Kuisma, K Kokko, A Nagy, L Vitos Physical Review B 99 (6), 064202, 2019 | 9 | 2019 |
| Space partitioning of exchange-correlation functionals with the projector augmented-wave method H Levämäki, M Kuisma, K Kokko The Journal of Chemical Physics 150 (5), 2019 | 8 | 2019 |
| K ullback–L eibler and relative F isher information as descriptors of locality H Levämäki, A Nagy, I Vilja, K Kokko, L Vitos International Journal of Quantum Chemistry 118 (12), e25557, 2018 | 8 | 2018 |
| Electron localization function implementation in the exact muffin-tin orbitals method H Levämäki, L Vitos Physical Review B 103 (3), 035118, 2021 | 7 | 2021 |
| Critical assessment of Co-Cu phase diagram from first-principles calculations C Li, H Levämäki, R Xie, L Tian, Z Dong, W Li, S Lu, Q Chen, J Ågren, ... Physical Review B 102 (18), 184428, 2020 | 7 | 2020 |
| Electronic structure and relative stability of the coherent and semi-coherent HfO2/III-V interfaces A Lahti, H Levämäki, J Mäkelä, M Tuominen, M Yasir, J Dahl, M Kuzmin, ... Applied Surface Science 427, 243-252, 2018 | 7 | 2018 |
| Gradient-level and nonlocal density functional descriptions of Cu-Au intermetallic compounds H Levämäki, L Tian, K Kokko, L Vitos The European Physical Journal B 91, 1-7, 2018 | 6 | 2018 |
| HADB: A materials-property database for hard-coating alloys H Levämäki, F Bock, DG Sangiovanni, LJS Johnson, F Tasnádi, ... Thin Solid Films 766, 139627, 2023 | 3 | 2023 |
| An automated algorithm for reliable equation of state fitting of magnetic systems H Levämäki, LY Tian, L Vitos, M Ropo Computational materials science 156, 121-128, 2019 | 3 | 2019 |
| Interatomic Fe–Cr potential for modeling kinetics on Fe surfaces P Kuopanportti, M Ropo, D Holmberg, H Levämäki, K Kokko, S Granroth, ... Computational Materials Science 203, 110840, 2022 | 1 | 2022 |
