Dario Alfe
Dario Alfe
Professor of Physics at University College London and Universita' di Napoli Federico II
E-mailová adresa ověřena na: - Domovská stránka
PHON: A program to calculate phonons using the small displacement method
D Alfč
Computer Physics Communications 180 (12), 2622-2633, 2009
Perspective: How good is DFT for water?
MJ Gillan, D Alfe, A Michaelides
The Journal of chemical physics 144 (13), 2016
Stone-Wales defects in graphene and other planar -bonded materials
J Ma, D Alfè, A Michaelides, E Wang
Physical Review B—Condensed Matter and Materials Physics 80 (3), 033407, 2009
Thermal and electrical conductivity of iron at Earth’s core conditions
M Pozzo, C Davies, D Gubbins, D Alfe
Nature 485 (7398), 355-358, 2012
The Melting curve of Iron at Earth's core pressures from ab-initio calculations
D Alfe, M Gillan, D Price
Nature 401, 462, 1999
Hydrogen dissociation and diffusion on transition metal (= Ti, Zr, V, Fe, Ru, Co, Rh, Ni, Pd, Cu, Ag)-doped Mg (0001) surfaces
M Pozzo, D Alfe
International journal of hydrogen energy 34 (4), 1922-1930, 2009
Phonon density of states of iron up to 153 gigapascals
HK Mao, J Xu, VV Struzhkin, J Shu, RJ Hemley, W Sturhahn, MY Hu, ...
Science 292 (5518), 914-916, 2001
Composition and temperature of the Earth’s core constrained by combining ab initio calculations and seismic data
D Alfè, MJ Gillan, GD Price
Earth and Planetary Science Letters 195 (1-2), 91-98, 2002
The viscosity of liquid iron at the physical conditions of the Earth's core
GA De Wijs, G Kresse, L Vočadlo, D Dobson, D Alfe, MJ Gillan, GD Price
Nature 392 (6678), 805-807, 1998
Possible thermal and chemical stabilization of body-centred-cubic iron in the Earth's core
L Vočadlo, D Alfè, MJ Gillan, IG Wood, JP Brodholt, GD Price
Nature 424 (6948), 536-539, 2003
Adsorption and diffusion of water on graphene from first principles
J Ma, A Michaelides, D Alfe, L Schimka, G Kresse, E Wang
Physical Review B—Condensed Matter and Materials Physics 84 (3), 033402, 2011
Growth of Dome-Shaped Carbon Nanoislands on Ir (111):<? format?> The Intermediate between Carbidic Clusters and Quasi-Free-Standing Graphene
P Lacovig, M Pozzo, D Alfe, P Vilmercati, A Baraldi, S Lizzit
Physical Review Letters 103 (16), 166101, 2009
Hydrogen bonds and van der Waals forces in ice at ambient and high pressures
B Santra, J Klimeš, D Alfe, A Tkatchenko, B Slater, A Michaelides, R Car, ...
Physical review letters 107 (18), 185701, 2011
Structure and dynamics of liquid iron under Earth’s core conditions
D Alfe, G Kresse, MJ Gillan
Physical Review B 61 (1), 132, 2000
Program available at http://chianti. geol. ucl. ac. uk/∼ dario; D. Alfe, GD Price, MJ Gillan
D Alfè
Phys. Rev. B 64, 04512316, 2001
First-principles calculation of transport coefficients
D Alfe, MJ Gillan
Physical review letters 81 (23), 5161, 1998
Development of a machine learning potential for graphene
P Rowe, G Csányi, D Alfè, A Michaelides
Physical Review B 97 (5), 054303, 2018
Melting curve of MgO from first-principles simulations
D Alfe
Physical review letters 94 (23), 235701, 2005
Hard numbers for large molecules: Toward exact energetics for supramolecular systems
A Ambrosetti, D Alfe, RA DiStasio Jr, A Tkatchenko
The journal of physical chemistry letters 5 (5), 849-855, 2014
Thermal Expansion of Supported and Freestanding Graphene:<? format?> Lattice Constant versus Interatomic Distance
M Pozzo, D Alfe, P Lacovig, P Hofmann, S Lizzit, A Baraldi
Physical review letters 106 (13), 135501, 2011
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Články 1–20