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Efficient determination of free energies of non-ideal solid solutions via hybrid Monte Carlo simulations.
Zhi Li
Sandro Scandolo
Published in:
Comput. Phys. Commun. (2024)
Keyphrases
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monte carlo simulation
efficient solutions
computationally expensive
monte carlo
optimal solution
higher order
markov chain
cost effective
data sets
lower bound
energy minimization
solution space
solution quality