Tampere University of Technology

TUTCRIS Research Portal

Publications

  1. 2015
  2. Published

    Van der Waals interactions are critical in Car-Parrinello molecular dynamics simulations of porphyrin-fullerene dyads

    Karilainen, T., Cramariuc, O., Kuisma, M., Tappura, K. & Hukka, T. I., 2015, In : Journal of Computational Chemistry. 36, 9, p. 612-621 10 p.

    Research output: Contribution to journalArticleScientificpeer-review

  3. 2014
  4. Published

    Entropy bounds for dendrimers

    Chen, Z., Dehmer, M., Emmert-Streib, F. & Shi, Y., 1 Sep 2014, In : Applied Mathematics and Computation. 242, p. 462-472 11 p.

    Research output: Contribution to journalArticleScientificpeer-review

  5. Published

    NetBioV: An R package for visualizing large network data in biology and medicine

    Tripathi, S., Dehmer, M. & Emmert-Streib, F., 2 Apr 2014, In : Bioinformatics. 30, 19, p. 2834-2836 3 p.

    Research output: Contribution to journalArticleScientificpeer-review

  6. Published

    Gene Sets Net Correlations Analysis (GSNCA): A multivariate differential coexpression test for gene sets

    Rahmatallah, Y., Emmert-Streib, F. & Glazko, G., 1 Feb 2014, In : Bioinformatics. 30, 3, p. 360-368 9 p.

    Research output: Contribution to journalArticleScientificpeer-review

  7. Published

    A full-potential linearized augmented plane wave study of the interaction of CO2 with α-Pu (020) surface nanolayers

    Wang, J. & Ray, A. K., 2014, In : Journal of Computational and Theoretical Nanoscience. 11, 7, p. 1710-1717 8 p.

    Research output: Contribution to journalArticleScientificpeer-review

  8. Published

    A microscopic view of the mechanisms of active transport across the cellular membrane

    Enkavi, G., Li, J., Wen, P., Thangapandian, S., Moradi, M., Jiang, T., Han, W. & Tajkhorshid, E., 2014, In : Annual Reports in Computational Chemistry. 10, p. 77-125 49 p.

    Research output: Contribution to journalArticleScientificpeer-review

  9. Published

    Magnetic origin of the chemical balance in alloyed Fe-Cr stainless steels: First-principles and Ising model study

    Airiskallio, E., Nurmi, E., Väyrynen, I. J., Kokko, K., Ropo, M., Punkkinen, M. P. J., Johansson, B. & Vitos, L., 2014, In : Computational Materials Science. 92, p. 135-140 6 p.

    Research output: Contribution to journalArticleScientificpeer-review

  10. 2013
  11. Published

    An efficient heuristic approach to detecting graph isomorphism based on combinations of highly discriminating invariants

    Dehmer, M., Grabner, M., Mowshowitz, A. & Emmert-Streib, F., Aug 2013, In : Advances in Computational Mathematics. 39, 2, p. 311-325 15 p.

    Research output: Contribution to journalArticleScientificpeer-review

  12. Published

    Density functional theory study of FePdn (n = 2-14) clusters and interactions with small molecules

    Ma, L., Wang, J., Hao, Y. & Wang, G., Feb 2013, In : Computational Materials Science. 68, p. 166-173 8 p.

    Research output: Contribution to journalArticleScientificpeer-review

  13. Published

    Growth behavior and magnetic properties of spherical uranium oxide nanoclusters

    Ma, L. & Ray, A. K., Feb 2013, In : Journal of Computational and Theoretical Nanoscience. 10, 2, p. 334-340 7 p.

    Research output: Contribution to journalArticleScientificpeer-review