Publications

Header image 1565172753

Search results

Journal Article (6)

  1. 1.
    Journal Article
    Huber, L.; Hadian, R.; Grabowski, B.; Neugebauer, J.: A machine learning approach to model solute grain boundary segregation. npj Computational Materials 4 (1), 64 (2018)
  2. 2.
    Journal Article
    Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: Ab initio modelling of solute segregation energies to a general grain boundary. Acta Materialia 132, pp. 138 - 148 (2017)
  3. 3.
    Journal Article
    Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: A QM/MM approach for low-symmetry defects in metals. Computational Materials Science 118, pp. 259 - 268 (2016)
  4. 4.
    Journal Article
    Huber, L.; Rottler, J.; Militzer, M.: Atomistic simulations of the interaction of alloying elements with grain boundaries in Mg. Acta Materialia 80, pp. 194 - 204 (2014)
  5. 5.
    Journal Article
    Huber, L.; Elfimov, I.; Rottler, J.; Militzer, M.: Ab initio calculations of rare-earth diffusion in magnesium. Physical Review B 85 (14), 144301 (2012)
  6. 6.
    Journal Article
    Huber, L.; Edwards, E.; Basilevsky, M. V.; Weinberg, N. N.: Reactions in viscous media: potential and free energy surfaces in solvent-solute coordinates. Molecular Physics 107 (21), pp. 2283 - 2291 (2009)

Conference Paper (1)

  1. 7.
    Conference Paper
    Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: Multi-scale quantum mechanical calculations of solute-grain boundary interaction. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 779 - 784 (Eds. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, British Columbia (2015)

Talk (1)

  1. 8.
    Talk
    Huber, L.: High-throughput calculations and modelling of solute-GB segregation. Thermec 2018 Conference, Paris, France (2018)
 
loading content
Go to Editor View