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Free energy computations by minimization of Kullback-Leibler divergence: an efficient adaptive biasing potential method for sparse representations
Free energy Kullback-Leibler divergence
2010/11/17
The present paper proposes an adaptive biasing potential for the computation of free energy landscapes. It is motivated by statistical learning arguments and unifies the tasks of biasing the molecula...
Redfield ratios revisited: Removing the biasing effect of anthropogenic CO2
Redfield ratios revisited Removing the biasing anthropogenic CO2
2014/6/9
Redfield ratios of remineralization are calculated based on chemical data analysis on isopycnal surfaces. The concentrations of dissolved inorganic carbon used in this study were corrected for the ant...