17 citations · 17 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2017★ 17 cited
Melting of the Au20 gold cluster : does charge matter?
Mathias Rapacioli, Nathalie Tarrat, Fernand Spiegelman
We investigate the dependence upon charge of the heat capacities of the magic gold cluster Au20 obtained from density functional based tight binding theory within parallel temperin…
cond-mat.mtrl-sci2012
Density Functional Theory investigations of titanium gamma-surfaces and stacking faults
Magali Benoit, Nathalie Tarrat, Joseph Morillo
Properties of hcp-Ti such as elastic constants, stacking faults and gamma-surfaces are computed using Density Functional Theory (DFT) and two central force Embedded Atom interactio…