60 citations · 61 across the 6 of their papers we have counts for
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cond-mat.soft2021★ 60 cited
Liquid-Liquid Critical Point in Phosphorus
Manyi Yang, Tarak Karmakar, Michele Parrinello
The study of liquid-liquid phase transition has attracted considerable attention. One interesting example of such phenomenon is phosphorus for which the existence a first-order pha…
cond-mat.stat-mech2021
Solubility prediction of organic molecules with molecular dynamics simulations
Zoran Bjelobrk, Dan Mendels, Tarak Karmakar +2
We present a molecular dynamics simulation method for the computation of the solubility of organic crystals in solution. The solubility is calculated based on the equilibrium free…