477 citations · 4.6k across the 66 of their papers we have counts for
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cond-mat.mtrl-sci2011★ 74 cited
Calculations of excess free energies of precipitates via direct thermodynamic integration across phase boundaries
Babak Sadigh, Paul Erhart
We describe a technique for constraining macroscopic fluctuations in thermodynamic variables well-suited for Monte Carlo (MC) simulations of multiphase equilibria. In particular fo…
cond-mat.mtrl-sci2011★ 49 cited
A first-principles study of helium storage in oxides and at oxide--iron interfaces
Paul Erhart
Density-functional theory calculations based on conventional as well as hybrid exchange-correlation functionals have been carried out to study the properties of helium in various o…