Hannes Jonsson

Adjunct Professor

Research outputs

  1. 2019
  2. Published

    Determination of the structure and properties of an edge dislocation in rutile TiO2

    Maras, E., Saito, M., Inoue, K., Jónsson, H., Ikuhara, Y. & McKenna, K. P., 15 Jan 2019, In : Acta Materialia. 163, p. 199-207 9 p.

    Research output: Contribution to journalArticleScientificpeer-review

  3. 2018
  4. Published

    Lifetime of racetrack skyrmions

    Bessarab, P. F., Müller, G. P., Lobanov, I. S., Rybakov, F. N., Kiselev, N. S., Jónsson, H., Uzdin, V. M., Blügel, S., Bergqvist, L. & Delin, A., 1 Dec 2018, In : Scientific Reports. 8, 1, p. 1-10 3433.

    Research output: Contribution to journalArticleScientificpeer-review

  5. Published

    Duplication, Collapse, and Escape of Magnetic Skyrmions Revealed Using a Systematic Saddle Point Search Method

    Müller, G. P., Bessarab, P. F., Vlasov, S. M., Lux, F., Kiselev, N. S., Blügel, S., Uzdin, V. M. & Jónsson, H., 6 Nov 2018, In : Physical Review Letters. 121, 19, p. 1-6 197202.

    Research output: Contribution to journalArticleScientificpeer-review

  6. Published

    Energy surface and lifetime of magnetic skyrmions

    Uzdin, V. M., Potkina, M. N., Lobanov, I. S., Bessarab, P. F. & Jonsson, H., Aug 2018, In : Journal of Magnetism and Magnetic Materials. 459, p. 236-240

    Research output: Contribution to journalArticleScientificpeer-review

  7. Published

    Calculations of Product Selectivity in Electrochemical CO2 Reduction

    Hussain, J., Jonsson, H. & Skulason, E., Jun 2018, In : ACS Catalysis. 8, 6, p. 5240-5249 19 p.

    Research output: Contribution to journalArticleScientificpeer-review

  8. 2017
  9. Published

    Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex

    Dohn, A. O., Jónsson, E. O., Levi, G., Mortensen, J. J., Lopez-Acevedo, O., Thygesen, K. S., Jacobsen, K. W., Ulstrup, J., Henriksen, N. E., Møller, K. B. & 1 othersJónsson, H., 12 Dec 2017, In : Journal of Chemical Theory and Computation. 13, 12, p. 6010-6022 13 p.

    Research output: Contribution to journalArticleScientificpeer-review

  10. Published

    Atomic Scale Formation Mechanism of Edge Dislocation Relieving Lattice Strain in a GeSi overlayer on Si(001)

    Maras, E., Pizzagalli, L., Ala-Nissilä, T. & Jónsson, H., 1 Dec 2017, In : Scientific Reports. 7, 1, p. 1-9 11966.

    Research output: Contribution to journalArticleScientificpeer-review

  11. Published

    First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach

    Smidstrup, S., Stradi, D., Wellendorff, J., Khomyakov, P. A., Vej-Hansen, U. G., Lee, M. E., Ghosh, T., Jónsson, E., Jónsson, H. & Stokbro, K., 30 Nov 2017, In : Physical Review B. 96, 19, p. 1-17 195309.

    Research output: Contribution to journalArticleScientificpeer-review

  12. Published

    The effect of temperature and external field on transitions in elements of kagome spin ice

    Liashko, S. Y., Jónsson, H. & Uzdin, V. M., 1 Nov 2017, In : New Journal of Physics. 19, 11, p. 1-8 113008.

    Research output: Contribution to journalArticleScientificpeer-review

  13. Published

    Energy surface and transition rates in a hexagonal element of spin ice

    Liashko, S. Y., Uzdin, V. M. & Jónsson, H., 28 Oct 2017, In : Journal of Physics: Conference Series. 903, 1, p. 1-4 012006.

    Research output: Contribution to journalArticleScientificpeer-review

  14. Published

    Nudged elastic band calculations accelerated with Gaussian process regression

    Koistinen, O-P., Dagbjartsdóttir, F. B., Ásgeirsson, V., Vehtari, A. & Jonsson, H., 21 Oct 2017, In : Journal of Chemical Physics. 147, 15, p. 1-14 152720.

    Research output: Contribution to journalArticleScientificpeer-review

  15. Published

    Magnetic exchange force microscopy: Theoretical analysis of induced magnetization reversals

    Ivanov, A., Bessarab, P. F., Uzdin, V. M. & Jónsson, H., 21 Sep 2017, In : Nanoscale. 9, 35, p. 13320-13325 6 p.

    Research output: Contribution to journalArticleScientificpeer-review

  16. Published

    Theory and Applications of Generalized Pipek-Mezey Wannier Functions

    Jónsson, E. Ö., Lehtola, S., Puska, M. & Jónsson, H., 14 Feb 2017, In : Journal of Chemical Theory and Computation. 13, 2, p. 460-474 15 p.

    Research output: Contribution to journalArticleScientificpeer-review

  17. Published

    Improved Minimum Mode Following Method for Finding First Order Saddle Points

    Gutierrez, M. P., Argaez, C. & Jonsson, H., Jan 2017, In : Journal of Chemical Theory and Computation. 13, 1, p. 125-134 10 p.

    Research output: Contribution to journalArticleScientificpeer-review

  18. Published

    Atomic scale simulations of heterogeneous electrocatalysis: recent advances

    Skúlason, E. & Jonsson, H., 2017, In : Advances in Physics: X. 2, 3, p. 481-495

    Research output: Contribution to journalReview ArticleScientificpeer-review

  19. Published

    Calculations of the onset temperature for tunneling in multispin systems

    Vlasov, S. M., Bessarab, P. F., Uzdin, V. M. & Jonsson, H., 2017, In : Nanosystems: Physics, Chemistry, Mathematics. 8, 4, p. 454-461

    Research output: Contribution to journalArticleScientificpeer-review

  20. 2016
  21. Published

    Crossover temperature for quantum tunnelling in spin systems

    Vlasov, S. M., Bessarab, P. F., Uzdin, V. M. & Jónsson, H., 15 Sep 2016, In : Journal of Physics: Conference Series. 741, 1, p. 1-5 012183.

    Research output: Contribution to journalArticleScientificpeer-review

  22. Published

    Rate of thermal transitions in kagome spin ice

    Liashko, S. Y., Uzdin, V. M. & Jónsson, H., 15 Sep 2016, In : Journal of Physics: Conference Series. 741, 1, p. 1-5 012182.

    Research output: Contribution to journalArticleScientificpeer-review

  23. Published

    Tip-surface interaction and rate of magnetic transitions

    Ivanov, A. V., Bessarab, P. F., Uzdin, V. M. & Jónsson, H., 15 Sep 2016, In : Journal of Physics: Conference Series. 741, 1, p. 1-5 012184.

    Research output: Contribution to journalArticleScientificpeer-review

  24. Published

    Effect of Complex-Valued Optimal Orbitals on Atomization Energies with the Perdew-Zunger Self-Interaction Correction to Density Functional Theory

    Lehtola, S., Jónsson, E. Ö. & Jónsson, H., 13 Sep 2016, In : Journal of Chemical Theory and Computation. 12, 9, p. 4296-4302 7 p.

    Research output: Contribution to journalArticleScientificpeer-review

  25. Published

    Efficient dynamical correction of the transition state theory rate estimate for a flat energy barrier

    Mökkönen, H., Ala-Nissilä, T. & Jónsson, H., 7 Sep 2016, In : Journal of Chemical Physics. 145, 9, p. 1-7 094901.

    Research output: Contribution to journalArticleScientificpeer-review

  26. Published

    Global transition path search for dislocation formation in Ge on Si(001)

    Maras, E., Trushin, O., Stukowski, A., Ala-Nissilä, T. & Jónsson, H., Aug 2016, In : Computer Physics Communications. 205, p. 13-21

    Research output: Contribution to journalArticleScientificpeer-review

  27. Published

    Complex orbitals, multiple local minima, and symmetry breaking in perdew-zunger self-interaction corrected density functional theory calculations

    Lehtola, S., Head-Gordon, M. & Jónsson, H., 12 Jul 2016, In : Journal of Chemical Theory and Computation. 12, 7, p. 3195-3207 13 p.

    Research output: Contribution to journalArticleScientificpeer-review

  28. Published

    Self-Interaction Corrected Functional Calculations of a Dipole-Bound Molecular Anion

    Zhang, Y., Weber, P. M. & Jónsson, H., 2 Jun 2016, In : Journal of Physical Chemistry Letters. 7, 11, p. 2068-2073 6 p.

    Research output: Contribution to journalArticleScientificpeer-review

  29. Published

    Charge localization in a diamine cation provides a test of energy functionals and self-interaction correction

    Cheng, X., Zhang, Y., Jónsson, E., Jónsson, H. & Weber, P. M., 16 Mar 2016, In : Nature Communications. 7, p. 1-6 11013.

    Research output: Contribution to journalArticleScientificpeer-review

  30. Published

    Minimum energy path for the nucleation of misfit dislocations in Ge/Si(0 0 1) heteroepitaxy

    Trushin, O., Maras, E., Stukowski, A., Granato, E., Ying, S. C., Jónsson, H. & Ala-Nissilä, T., 22 Feb 2016, In : Modelling and Simulation in Materials Science and Engineering. 24, 3, p. 1-13 035007.

    Research output: Contribution to journalArticleScientificpeer-review

  31. Published

    Qualitative insight and quantitative analysis of the effect of temperature on the coercivity of a magnetic system

    Moskalenko, M., Bessarab, P. F., Uzdin, V. M. & Jónsson, H., 1 Feb 2016, In : AIP ADVANCES. 6, 2, p. 1-8 025213.

    Research output: Contribution to journalArticleScientificpeer-review

  32. Published

    Classical to quantum mechanical tunneling mechanism crossover in thermal transitions between magnetic states

    Vlasov, S., Bessarab, P. F., Uzdin, V. M. & Jónsson, H., 2016, In : Faraday Discussions. 195, p. 93-109 17 p.

    Research output: Contribution to journalArticleScientificpeer-review

  33. Published

    Faraday efficiency and mechanism of electrochemical surface reactions: CO2 reduction and H2 formation on Pt(111)

    Hussain, J., Jónsson, H. & Skúlason, E., 2016, In : Faraday Discussions. 195, p. 619-636 18 p.

    Research output: Contribution to journalArticleScientificpeer-review

  34. Published

    Mechanism and activation energy of magnetic skyrmion annihilation obtained from minimum energy path calculations

    Lobanov, I. S., Jónsson, H. & Uzdin, V. M., 2016, In : Physical Review B. 94, 17, p. 1-7 174418.

    Research output: Contribution to journalArticleScientificpeer-review

  35. Published

    Minimum energy path calculations with Gaussian process regression

    Koistinen, O-P., Maras, E., Vehtari, A. & Jonsson, H., 2016, In : Nanosystems: Physics, Chemistry, Mathematics. 7, 6, p. 925-935

    Research output: Contribution to journalArticleScientificpeer-review

  36. 2015
  37. Published

    Magic-Number Gold Nanoclusters with Diameters from 1 to 3.5 nm: Relative Stability and Catalytic Activity for CO Oxidation

    Li, H., Li, L., Pedersen, A., Gao, Y., Khetrapal, N., Jonsson, H. & Zeng, X. C., Jan 2015, In : Nano Letters. 15, 1, p. 682-688 7 p.

    Research output: Contribution to journalArticleScientificpeer-review

  38. Published

    Calculations of Al dopant in alpha-quartz using a variational implementation of the Perdew-Zunger self-interaction correction

    Gudmundsdóttir, H., Jónsson, E. Ö. & Jónsson, H., 2015, In : New Journal of Physics. 17, 8, p. 123-127

    Research output: Contribution to journalArticleScientificpeer-review

  39. Published

    Computational study of electrochemical CO2 reduction at transition metal electrodes

    Hussain, J., Skúlason, E. & Jónsson, H., 2015, In : PROCEDIA COMPUTER SCIENCE. 51, p. 1865-1871 7 p.

    Research output: Contribution to journalArticleScientificpeer-review

  40. Published

    Improved tight-binding charge transfer model and calculations of energetics of a step on the rutile TiO2(110) surface

    Maras, E., Salles, N., Tétot, R., Ala-Nissila, T. & Jónsson, H., 2015, In : Journal of Physical Chemistry C. 119, 19, p. 10391-10399

    Research output: Contribution to journalArticleScientificpeer-review

  41. Published

    Long-timescale simulations of H2O admolecule diffusion on Ice Ih(0001) surfaces

    Pedersen, A., Karssemeijer, L. J., Cuppen, H. M. & Jónsson, H., 2015, In : Journal of Physical Chemistry C. 119, 29, p. 16528-16536

    Research output: Contribution to journalArticleScientificpeer-review

  42. Published

    Magic-number gold nanoclusters with diameter 1 to 3.5 nm: Relative stability and catalytic activity for CO oxidation

    Li, H., Li, L., Pedersen, A., Gao, Y., Khetrapal, N., Jonsson, H. & Zeng, X. C., 2015, In : Nano Letters. 15, 682, p. 682-688

    Research output: Contribution to journalArticleScientificpeer-review

  43. Published

    Method for finding mechanism and activation energy of magnetic transitions, applied to skyrmion and antivortex annihilation

    Bessarab, P. F., Uzdin, V. M. & Jónsson, H., 2015, In : Computer Physics Communications. 196, November 2015, p. 335-347

    Research output: Contribution to journalArticleScientificpeer-review

  44. Published

    Removing external degrees of freedom from transition state search methods using quaternions

    Melander, M., Laasonen, K. & Jonsson, H., 2015, In : Journal of Chemical Theory and Computation. 11, 3, p. 1055-1062 8 p.

    Research output: Contribution to journalArticleScientificpeer-review

  45. Published

    Theoretical calculations of electrochemical reduction of CO2 at cu and cu-au nanoparticles

    Hussain, J., Skúlason, E. & Jónsson, H., 2015, Liaison Functions 2015 - Core Programming Area at the 2015 AIChE Annual Meeting. AIChE, p. 630-631 2 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contributionScientificpeer-review

  46. Published

    Towards an optimal gradient-dependent energy functional of the PZ-SIC form

    Jónsson, E., Lehtola, S. & Jónsson, H., 2015, In : PROCEDIA COMPUTER SCIENCE. 51, p. 1858-1864

    Research output: Contribution to journalArticleScientificpeer-review

  47. Published

    Transition State Theory Approach to Polymer Escape from a One Dimensional Potential Well

    Mökkönen, H., Ikonen, T., Ala-Nissila, T. & Jonsson, H., 2015, In : Journal of Chemical Physics. 142, p. 1-8 224906.

    Research output: Contribution to journalArticleScientificpeer-review

  48. 2014
  49. Published

    Molecular reordering processes on ice (0001) surfaces from long timescale simulations

    Pedersen, A., Wikfeldt, K. T., Karssemeijer, L., Cuppen, H. & Jónsson, H., 21 Dec 2014, In : Journal of Chemical Physics. 141, 23, p. 1-11 234706.

    Research output: Contribution to journalArticleScientificpeer-review

  50. Published

    Calculations of magnetic states and minimum energy paths of transitions using a noncollinear extension of the Alexander-Anderson model and a magnetic force theorem

    Bessarab, P. F., Uzdin, V. M. & Jónsson, H., 27 Jun 2014, In : Physical Review B. 89, 21, 214424.

    Research output: Contribution to journalArticleScientificpeer-review

  51. Published

    Improved initial guess for minimum energy path calculations

    Smidstrup, S., Pedersen, A., Stokbro, K. & Jónsson, H., 7 Jun 2014, In : Journal of Chemical Physics. 140, 21, p. 1-6 214106.

    Research output: Contribution to journalArticleScientificpeer-review

  52. Published

    Catalytic activity of Pt nano-particles for H2 formation

    Skúlason, E., Faraj, A. A., Kristinsdóttir, L., Hussain, J., Garden, A. L. & Jónsson, H., Feb 2014, In : Topics in Catalysis. 57, 1-4, p. 273-281 9 p.

    Research output: Contribution to journalArticleScientificpeer-review

  53. Published

    Effect of Magnetic States on the Reactivity of FCC(111) Iron Surface

    Melander, M., Laasonen, K. & Jonsson, H., 2014, In : Journal of Physical Chemistry C. 118, 29, p. 15863-15873 11 p.

    Research output: Contribution to journalArticleScientificpeer-review

  54. Published

    Pipek-Mezey Orbital Localization Using Various Partial Charge Estimates

    Lehtola, S. & Jonsson, H., 2014, In : Journal of Chemical Theory and Computation. 10, 2, p. 642-649

    Research output: Contribution to journalArticleScientificpeer-review

  55. Published

    Polymer escape from a confining potential

    Mökkönen, H., Ikonen, T., Jonsson, H. & Ala-Nissilä, T., 2014, In : Journal of Chemical Physics. 140, 5, p. 1-7 054907.

    Research output: Contribution to journalArticleScientificpeer-review

  56. 2013
  57. Published

    Effect of hydrogen adsorption on the magnetic properties of a surface nanocluster of iron

    Bessarab, P. F., Uzdin, V. M. & Jónsson, H., 10 Dec 2013, In : Physical Review B. 88, 21, 214407.

    Research output: Contribution to journalArticleScientificpeer-review

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