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Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities

Fiona L. Kearns, Phillip S. Hudson, Henry L. Woodcock, Stefan Boresch. Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities. Journal of Computational Chemistry, 38(16):1376-1388, 2017. [doi]

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