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Journal Article (58)

  1. 21.
    Journal Article
    Zeraati, M.; Allaei, S. M. V.; Sarsari, I. A.; Pourfath, M.; Donadio, D.: Highly anisotropic thermal conductivity of arsenene: An ab initio study. Physical Review B 93 (8), 085424 (2016)
  2. 22.
    Journal Article
    Campi, D.; Donadio, D.; Sosso, G. C.; Behler, J.; Bernasconi, M.: Electron-phonon interaction and thermal boundary resistance at the crystal-amorphous interface of the phase change compound GeTe. Journal of Applied Physics 117 (1 ), 015304 (2015)
  3. 23.
    Journal Article
    Espanol, P.; Delgado-Buscalioni, R.; Everaers, R.; Potestio, R.; Donadio, D.; Kremer, K.: Statistical mechanics of Hamiltonian adaptive resolution simulations. The Journal of Chemical Physics 142 (6 ), 064115 (2015)
  4. 24.
    Journal Article
    Fan, Z. Y.; Pereira, L. F. C.; Wang, H. Q.; Zheng, J. C.; Donadio, D.; Harju, A.: Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations. Physical Review B 92 (9), 094301 (2015)
  5. 25.
    Journal Article
    Kahlen, J.; Peter, C.; Donadio, D.: Molecular simulation of oligo-glutamates in a calcium-rich aqueous solution: insights into peptide-induced polymorph selection. CrystEngComm 17 (36), pp. 6863 - 6867 (2015)
  6. 26.
    Journal Article
    Koschke, K.; Limbach, H. J.; Kremer, K.; Donadio, D.: Freezing point depression in model Lennard-Jones solutions. Molecular Physics 113 (17-18), pp. 2725 - 2734 (2015)
  7. 27.
    Journal Article
    Li, Q.; Duchemin, I.; Xiong, S.; Solomon, G. C.; Donadio, D.: Mechanical Tuning of Thermal Transport in a Molecular Junction. The Journal of Physical Chemistry C 119 (43), pp. 24636 - 24642 (2015)
  8. 28.
    Journal Article
    Neogi, S.; Reparaz, J. S.; Pereira, L. F. C.; Graczykowski, B.; Wagner, M. R.; Sledzinska, M.; Shchepetov, A.; Prunnila, M.; Ahopelto, J.; Sotomayor-Torres, C. M. et al.; Donadio, D.: Tuning Thermal Transport in Ultrathin Silicon Membranes by Surface Nanoscale Engineering. ACS Nano 9 (4), pp. 3820 - 3828 (2015)
  9. 29.
    Journal Article
    Neogi, S.; Donadio, D.: Thermal transport in free-standing silicon membranes: influence of dimensional reduction and surface nanostructures. European Physical Journal B 88, 73 (2015)
  10. 30.
    Journal Article
    Fritsch, S.; Potestio, R.; Donadio, D.; Kremer, K.: Nuclear Quantum Effects in Water: A Multiscale Study. Journal of Chemical Theory and Computation 10 (2), pp. 816 - 824 (2014)
  11. 31.
    Journal Article
    Kahlen, J.; Salimi, L.; Sulpizi, M.; Peter, C.; Donadio, D.: Interaction of Charged Amino-Acid Side Chains with Ions: An Optimization Strategy for Classical Force Fields. Journal of Physical Chemistry B 118 (14), pp. 3960 - 3972 (2014)
  12. 32.
    Journal Article
    Kreis, K.; Donadio, D.; Kremer, K.; Potestio, R.: A unified framework for force-based and energy-based adaptive resolution simulations. EPL 108 (3), 30007 (2014)
  13. 33.
    Journal Article
    Marsico, F.; Turshatov, A.; Peköz, R.; Avlasevich, Y.; Wagner, M.; Weber, K.; Donadio, D.; Landfester, K.; Baluschev, S.; Wurm, F. R.: Hyperbranched Unsaturated Polyphosphates as a Protective Matrix for Long-Term Photon Upconversion in Air. Journal of the American Chemical Society 136 (31), pp. 11057 - 11064 (2014)
  14. 34.
    Journal Article
    Peköz, R.; Wörner, S.; Ghiringhelli, L. M.; Donadio, D.: Trends in the Adsorption and Dissociation of Water Clusters on Flat and Stepped Metallic Surfaces. The Journal of Physical Chemistry C 118 (51), pp. 29990 - 29998 (2014)
  15. 35.
    Journal Article
    Peköz, R.; Johnston, K.; Donadio, D.: Tuning the Adsorption of Aromatic Molecules on Platinum via Halogenation. Journal of Physical Chemistry C 118 (12), pp. 6235 - 6241 (2014)
  16. 36.
    Journal Article
    Xu, X. F.; Pereira, L. F. C.; Wang, Y.; Wu, J.; Zhang, K. W.; Zhao, X. M.; Bae, S.; Bui, C. T.; Xie, R. G.; Thong, J. T. L. et al.; Hong, B. H.; Loh, K. P.; Donadio, D.; Li, B. W.; Özyilmaz, B.: Length-dependent thermal conductivity in suspended single-layer graphene. Nature Communications 5, 3689 (2014)
  17. 37.
    Journal Article
    Li, T. S.; Donadio, D.; Galli, G.: Ice nucleation at the nanoscale probes no man's land of water. Nature Communications 4, 1887 (2013)
  18. 38.
    Journal Article
    Pereira, L. F. C.; Donadio, D.: Divergence of the thermal conductivity in uniaxially strained graphene. Physical Review B 87 (12), 125424 (2013)
  19. 39.
    Journal Article
    Pereira, L. F. C.; Savic, I.; Donadio, D.: Thermal conductivity of one-, two- and three-dimensional sp(2) carbon. New Journal of Physics 15, 105019 (2013)
  20. 40.
    Journal Article
    Potestio, R.; Espanol, P.; Delgado-Buscalioni, R.; Everaers, R.; Kremer, K.; Donadio, D.: Monte Carlo Adaptive Resolution Simulation of Multicomponent Molecular Liquids. Physical Review Letters 111 (6), 060601 (2013)
 
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