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The last 5 uploaded publications
Adsorption and diffusion of water on graphene from first principles
Jie Ma, Angelos Michaelides, Dario Alfè, Laurids Schimka, Kresse Georg, Enge Wang (2011). Adsorption and diffusion of water on graphene from first principles. Physical Review B, 84(3), DOI: 10.1103/physrevb.84.033402.
Article186 days agoPhysisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods
Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner, Benjamin Ramberger, Kresse Georg, Theodoros Tsatsoulis, Andreas Grüneis, Angelos Michaelides, Dario Alfè (2019). Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods. The Journal of Physical Chemistry Letters, 10(3), pp. 358-368, DOI: 10.1021/acs.jpclett.8b03679.
Article185 days agoStructure and dynamics of liquid iron under Earth’s core conditions
Dario Alfè, Kresse Georg, M. J. Gillan (2000). Structure and dynamics of liquid iron under Earth’s core conditions. Physical review. B, Condensed matter, 61(1), pp. 132-142, DOI: 10.1103/physrevb.61.132.
Article179 days agoThe viscosity of liquid iron at the physical conditions of the Earth's core
G. A. de Wijs, Kresse Georg, L. Vočadlo, D. P. Dobson, Dario Alfè, M. J. Gillan, G. D. Price (1998). The viscosity of liquid iron at the physical conditions of the Earth's core. Nature, 392(6678), pp. 805-807, DOI: 10.1038/33905.
Article179 days agoProperties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy
Yasmine S. Al-Hamdani, Mariana Rossi, Dario Alfè, Theodoros Tsatsoulis, Benjamin Ramberger, Jan Gerit Brandenburg, Andrea Zen, Kresse Georg, Andreas Grüneis, Alexandre Tkatchenko, Angelos Michaelides (2017). Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy. The Journal of Chemical Physics, 147(4), DOI: 10.1063/1.4985878.
Article169 days ago