most citedUsing reweighting and free energy surface interpolation to predict solid-solid phase diagrams

27 citations · 27 across the 1 of their papers we have counts for

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1 paper

cond-mat.stat-mech2017★ 27 cited

Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams

Natalie P. Schieber, Eric C. Dybeck, Michael R. Shirts

Many physical properties of small organic molecules are dependent on the current crystal packing, or polymorph, of the material, including bioavailability of pharmaceuticals, optic…