| Binding energies of exciton complexes in transition metal dichalcogenide monolayers and effect of dielectric environment I Kylänpää, HP Komsa Physical Review B 92 (20), 205418, 2015 | 302 | 2015 |
| QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids J Kim, AT Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ... Journal of Physics: Condensed Matter 30 (19), 195901, 2018 | 287 | 2018 |
| QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ... The Journal of chemical physics 152 (17), 174105, 2020 | 118 | 2020 |
| Accuracy of ab initio electron correlation and electron densities in vanadium dioxide I Kylänpää, J Balachandran, P Ganesh, O Heinonen, PRC Kent, JT Krogel Physical Review Materials 1 (6), 065408, 2017 | 52 | 2017 |
| Beyond the Born-Oppenheimer approximation with quantum Monte Carlo methods NM Tubman, I Kylänpää, S Hammes-Schiffer, DM Ceperley Physical Review A 90 (4), 042507, 2014 | 40 | 2014 |
| Metal–insulator transition tuned by oxygen vacancy migration across TiO 2/VO 2 interface Q Lu, C Sohn, G Hu, X Gao, MF Chisholm, I Kylänpää, JT Krogel, ... Scientific reports 10 (1), 1-7, 2020 | 34 | 2020 |
| First-principles simulation of molecular dissociation–recombination equilibrium I Kylänpää, TT Rantala The Journal of chemical physics 135 (10), 104310, 2011 | 34 | 2011 |
| Thermal effects on the Wigner localization and Friedel oscillations in many-electron nanowires I Kylänpää, F Cavaliere, NT Ziani, M Sassetti, E Räsänen Physical Review B 94 (11), 115417, 2016 | 29 | 2016 |
| Doping a bad metal: Origin of suppression of the metal-insulator transition in nonstoichiometric P Ganesh, F Lechermann, I Kylänpää, JT Krogel, PRC Kent, O Heinonen Physical Review B 101 (15), 155129, 2020 | 25 | 2020 |
| Finite temperature quantum statistics of molecular ion I Kylänpää, TT Rantala The Journal of chemical physics 133 (4), 044312, 2010 | 23 | 2010 |
| Thermal dissociation of dipositronium: Path-integral Monte Carlo approach I Kylänpää, TT Rantala Physical Review A 80 (2), 024504, 2009 | 21 | 2009 |
| How large are nonadiabatic effects in atomic and diatomic systems? Y Yang, I Kylänpää, NM Tubman, JT Krogel, S Hammes-Schiffer, ... The Journal of chemical physics 143 (12), 124308, 2015 | 20 | 2015 |
| Dirac physics in flakes of artificial graphene in magnetic fields M Aichinger, S Janecek, I Kylänpää, E Räsänen Physical Review B 89 (23), 235433, 2014 | 17 | 2014 |
| Few-body reference data for multicomponent formalisms: Light-nuclei molecules I Kylänpää, TT Rantala, DM Ceperley Physical Review A 86 (5), 052506, 2012 | 15 | 2012 |
| Hydrogen molecule ion: Path-integral Monte Carlo approach I Kylänpää, M Leino, TT Rantala Physical Review A 76 (5), 052508, 2007 | 15 | 2007 |
| Compton profile of across the metal-insulator transition: Evidence of a non-Fermi liquid metal I Kylänpää, Y Luo, O Heinonen, PRC Kent, JT Krogel Physical Review B 99 (7), 075154, 2019 | 12 | 2019 |
| Adiabatic and nonadiabatic static polarizabilities of H and J Tiihonen, I Kylänpää, TT Rantala Physical Review A 91 (6), 062503, 2015 | 12 | 2015 |
| Path integral Monte Carlo benchmarks for two-dimensional quantum dots I Kylänpää, E Räsänen Physical Review B 96 (20), 205445, 2017 | 11 | 2017 |
| First-principles finite temperature electronic structure of some small molecules I Kylänpää Tampere University of Technology, 2011 | 11 | 2011 |
| General polarizability and hyperpolarizability estimators for the path-integral Monte Carlo method applied to small atoms, ions, and molecules at finite temperatures J Tiihonen, I Kylänpää, TT Rantala Physical Review A 94 (3), 032515, 2016 | 10 | 2016 |
