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
331 2018 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
323 2015 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
140 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
55 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
41 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
40 2020 First-principles simulation of molecular dissociation–recombination equilibrium I Kylänpää, TT Rantala
The Journal of chemical physics 135 (10), 104310, 2011
36 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
32 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
28 2020 Finite temperature quantum statistics of I Kylänpää, TT Rantala
The Journal of chemical physics 133 (4), 044312, 2010
23 2010 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
22 2015 Thermal dissociation of dipositronium: Path-integral Monte Carlo approach I Kylänpää, TT Rantala
Physical Review A 80 (2), 024504, 2009
21 2009 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
18 2014 Few-body reference data for multicomponent formalisms: Light-nuclei molecules I Kylänpää, TT Rantala, DM Ceperley
Physical Review A 86 (5), 052506, 2012
16 2012 Hydrogen molecule ion: Path-integral Monte Carlo approach I Kylänpää, M Leino, TT Rantala
Physical Review A 76 (5), 052508, 2007
15 2007 Path integral Monte Carlo benchmarks for two-dimensional quantum dots I Kylänpää, E Räsänen
Physical Review B 96 (20), 205445, 2017
13 2017 Compton profile of 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 Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study I Kylänpää, F Berardi, E Räsänen, P García-González, CA Rozzi, A Rubio
New Journal of Physics 18 (8), 083014, 2016
10 2016 First-principles finite temperature electronic structure of some small molecules I Kylänpää
Tampere University of Technology, 2011
10 2011