20132020

Research output per year

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Research Output

  • 56 Article
  • 2 Conference contribution
  • 1 Review Article

Efficient optimization method for finding minimum energy paths of magnetic transitions

Ivanov, A. V., Dagbartsson, D., Tranchida, J., Uzdin, V. M. & Jónsson, H., 12 Aug 2020, In : Journal of Physics Condensed Matter. 32, 34, 345901.

Research output: Contribution to journalArticleScientificpeer-review

  • Minimum mode saddle point searches using Gaussian process regression with inverse-distance covariance function

    Koistinen, O-P., Ásgeirsson, V., Vehtari, A. & Jonsson, H., 14 Jan 2020, In : Journal of Chemical Theory and Computation. 16, 1, p. 499-509

    Research output: Contribution to journalArticleScientificpeer-review

  • NWChem: Past, present, and future

    Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J. J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P. & 93 others, Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., Chuev, G. N., Cramer, C. J., Daily, J., Deegan, M. J. O., Dunning, T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J., Lopata, K., Ma, W., Marenich, A. V., Martin Del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M. A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, D., Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y. & Harrison, R. J., 14 May 2020, In : The Journal of chemical physics. 152, 18, 1 p.

    Research output: Contribution to journalArticleScientificpeer-review

    Open Access
  • 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

    Open Access
    File
  • 4 Citations (Scopus)
    153 Downloads (Pure)

    Effect of H adsorption on the magnetic properties of an Fe island on a W(110) surface

    Melander, M. & Jonsson, H., 25 Nov 2019, In : Physical Review B. 100, 17, p. 1-7 7 p., 174431.

    Research output: Contribution to journalArticleScientificpeer-review

    Open Access
    File
    26 Downloads (Pure)

    Projects

    Simulation studies of nanoparticle catalysis in solar cells

    Jonsson, H., Ala-Nissilä, T., Heinonen, V. & Achim, C.

    01/01/201331/12/2016

    Project: Academy of Finland: Other research funding

    Activities

    • 19 Hosting a visitor

    Tushar Kanti Ghosh

    Hannes Jonsson (Host)
    31 Aug 201721 Sep 2017

    Activity: Hosting a visitor typesHosting a visitor

    Aleksei Ivanov

    Hannes Jonsson (Host)
    30 Jan 201712 Feb 2017

    Activity: Hosting a visitor typesHosting a visitor

    Valery Uzdin

    Hannes Jonsson (Host)
    7 Feb 201712 Feb 2017

    Activity: Hosting a visitor typesHosting a visitor

    Igor Lobanov

    Hannes Jonsson (Host)
    7 Feb 201712 Feb 2017

    Activity: Hosting a visitor typesHosting a visitor

    Sergei Vlasov

    Hannes Jonsson (Host)
    7 Feb 201712 Feb 2017

    Activity: Hosting a visitor typesHosting a visitor