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Simulations of nonuniform fluids with long-ranged and short-ranged interactions
The study of nonuniform fluids is of great importance in many areas of chemistry, biophysics,and materials science. Computer simulations of model systems have provided great insight into fundamental physical issues. We ...
Exploring Equilibrium Systems with Nonequilibrium Simulations
Equilibrium sampling is at the core of computational thermodynamics, aiding our understanding of various phenomena in the natural sciences including phase coexistence, molecular solvation, and protein folding. Despite the ...