Ilkka Kylänpää

Teaching courses Computational Physics 1, Computational Physics 2, Bachelor's thesis seminar and University Physics.

Research interests are related to computational materials physics, e.g., predictive simulation of materials properties and method development.

My publications at the research portal of Tampere University.

Teaching, research and development of teaching practices in Physics.

University instructor, Docent (Adj. Prof.), Computational Physics Laboratory, Tampere University (since 3 Dec 2018)

Postdoctoral research associate, Materials Science and Technology Division, Oak Ridge National Laboratory (10 April 2017 - 12 Nov 2018)

Docent (Adj. Prof.), Department of Physics, Tampere University of Technology (since 7 July 2016)

Postdoctoral researcher, Department of Physics, Tampere University of Technology (1 Jan 2014 - 31 Dec 2016)

Postdoctoral research associate, Department of Physics, Univerisity of Illinois at Urbana-Champaign (26 March 2012 - 31 Dec 2013)

Researcher, Department of Physics, Tampere University of Technology (8 Dec 2011 - 25 March 2012)

Graduate student, Department of Physics, Tampere University of Technology (1 Jan 2007 - 7 Dec 2011)

Research associate, Department of Physics, Tampere University of Technology (5 June 2005 - 31 Dec 2006)

Journal articles 

28. Qiyang Lu et al., Metal–insulator transition tuned by oxygen vacancy migration across TiO2/VO2 interface, Scientific Reports 10, 18554 (2020) 

27. P. R. C. Kent et al., QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo, J. Chem. Phys. 152, 174105 (2020)  

26. P. Ganesh, F. Lechermann, I. Kylänpää, J. Krogel, P. Kent, O. Heinonen, Doping a Bad Metal: Origin of Suppression of Metal-Insulator Transition in Non-Stoichiometric VO2, Phys. Rev. B 101, 155129 (2020)  

25. I. Kylänpää, Y. Luo, O. Heinonen, P. Kent, J. Krogel, Compton profile of VO2 across the metal-insulator transition: Evidence of a non-Fermi liquid metal, Phys. Rev. B 99, 075154 (2019) 

24. J. Tiihonen, I. Kylänpää, T. T. Rantala, Computation of Dynamic Polarizabilities and van der Waals Coefficients from Path-Integral Monte Carlo, J. Chem. Theory Comput. 14, 5750 (2018) 

23. J. Kim et al., QMCPACK: An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids, J. Phys.: Condens. Matter 30, 195901 (2018) 

22. I. Kylänpää, E. Räsänen, Path integral Monte Carlo benchmarks for two-dimensional quantum dots, Phys. Rev. B 96, 205445 (2017) 

21. I. Kylänpää, J. Balachandran, P. Ganesh, O. Heinonen, P. R. C. Kent, J. T. Krogel, Accuracy of ab initio electron correlation and electron densities in vanadium dioxide, Phys. Rev. Materials 1, 065408 (2017) 

20. J. Tiihonen, I. Kylänpää, T. T. Rantala, Static field-gradient polarizabilities of small atoms and molecules at finite temperature, J. Chem. Phys. 147, 204101 (2017) 

19. A. Odriazola, J. Solanpää, I. Kylänpää, A. Gonzalez, E. Räsänen, Universal scaling relations for the many electron Hooke atoms, Phys. Rev. A 94, 042511 (2017) 

18. I. Ruokosenmäki, H. Gholizade, I. Kylänpää, T. Rantala, Numerical path integral solution to strong Coulomb correlation in one dimensional Hooke's atom, Comput. Phys. Commun. 210, 45 (2017) 

17. J. Tiihonen, I. Kylänpää, T. T. Rantala, General polarizability and hyperpolarizability estimators for the path-integral Monte Carlo method applied to small atoms, ions, and molecules at finite temperatures, Phys. Rev. A 94, 032515 (2016) 

16. I. Kylänpää, F. Cavaliere, N. Traverso Ziani, M. Sassetti, E. Räsänen, Thermal effects on the Wigner localization and Friedel oscillations in many-electron nanowires, Phys. Rev. B 94, 115417 (2016) 

15. I. Kylänpää, F. Berardi, E. Räsänen, P. Garcia-Gonzalez, C. Andrea Rossi, A. Rubio, Stability of the Dirac cone in artificial graphene formed in quantum wells: A computational many-electron study, New Journal of Physics 18, 083014 (2016) 

14. I. Kylänpää, E. Räsänen, Extended Ewald Summation Technique, Comput. Phys. Commun. 206, 64 (2016) 

13. J. Tiihonen, A. Schramm, I. Kylänpää, T. T. Rantala, Exact modeling of finite temperature and quantum delocalization effects on reliability of quantum-dot cellular automata, J. Phys. D: Appl. Phys. 49, 065103 (2016) 

12. I. Kylänpää, H.-P. Komsa, Binding energies of exciton complexes in transition metal dichalcogenide monolayers and effect of dielectric environment, Phys. Rev. B 92, 205418 (2015) 

11. I. Kylänpää, M. Aichinger, S. Janecek, E. Räsänen, Finite-size effects and interactions in artificial graphene formed by repulsive scatterers, J. Phys.: Condens. Matter 27, 425501 (2015) 

10. Y. Yang, I. Kylänpää, N. Tubman, Jaron Krogel, Sharon Hammes-Schiffer, and David Ceperley, How Large are Nonadiabatic Effects in Atomic and Diatomic Systems?, J. Chem. Phys. 143, 124308 (2015) 

9. J. Tiihonen, I. Kylänpää, T. T. Rantala, Adiabatic and nonadiabatic static polarizabilities of H and H2, Phys. Rev. A 91, 062503 (2015) 

8. N. Tubman, I. Kylänpää, S. Hammes-Schiffer, D. M. Ceperley, Beyond the Born-Oppenheimer approximation with quantum Monte Carlo, Phys. Rev. A 90, 042507 (2014) 

7. M. Aichinger, S. Janecek, I. Kylänpää, E. Räsänen, Dirac physics in flakes of artificial graphene in magnetic fields, Phys. Rev. B 89, 235433 (2014) 

6. I. Kylänpää, T. T. Rantala, D. M. Ceperley, Few-body reference data for multicomponent formalisms: Light-nuclei molecules, Phys. Rev. A 86, 052506 (2012) 

5. I. Kylänpää, T. T. Rantala, First-principles simulation of molecular dissociation-recombination equilibrium, J. Chem. Phys. 135, 104310 (2011) 

4. I. Kylänpää, T. T. Rantala, Finite temperature quantum statistics of H3+ molecular ion, J. Chem. Phys. 133, 044312 (2010) 

3. I. Kylänpää, T. T. Rantala, Thermal dissociation of dipositronium: Path-integral Monte Carlo approach, Phys. Rev. A 80, 024504 (2009) 

2. I. Kylänpää, M. Leino, T. T. Rantala, Hydrogen molecule ion: Path integral Monte Carlo approach, Phys. Rev. A 76, 052508 (2007) 

1. M. Leino, I. Kylänpää, T. T. Rantala, Coverage dependence of finite temperature quantum distribution of hydrogen on nickel (001) surface, Surface Science 601, 1246 (2007) 

Thesis 

I. Kylänpää, First-principles finite temperature electronic structure of some small molecules, PhD Thesis, Tampere University of Technology (2011) 

I. Kylänpää, Application of the path integral Monte Carlo method for solving the quantum statistics of electron-proton systems, MSc Thesis (in Finnish), Tampere University of Technology (2006)