Search Results - "HAIRIE, F"

Free energies of interfaces from quasi-harmonic theory: A critical appraisal by Hairie, A., Hairie, F., Lebouvier, B., Nouet, G., Paumier, E., Ralantoson, N., Sutton, A.P.

“…A critical assessment is given of the quasi-harmonic approximation, and various approximations to the quasi-harmonic approximation, with regard to predicting…”
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Methods of minimizing free energies directly by SUTTON, A. P, HAIRIE, A, HAIRIE, F, LEBOUVIER, B, NOUET, G, PAUMIER, E, RALANTOSON, N

“…Standard simulation techniques can be found in the literature to evaluate free energies of materials by thermodynamic integration. These technqieus, though…”
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