Disentangling the Entropy of Liquids of Flexible Molecules


Entropy and energy are fundamental quantities that determine the stability of a molecular system. While energy may be calculated from force fields or electronic structure methods, there is still no general method to calculate... [ view full abstract ]


  1. Richard Henchman (University of Manchester)
  2. Jonathan Higham (University of Edinburgh)
  3. Szu-yu Chou (University of Manchester)

Topic Areas

Advances in molecular simulation , Challenges and advances in fluid phase equilibria


Fluids - 2 » Parallel Session - Advances in Fluid Phase Equilibria (16:40 - Thursday, 7th September, Pentland Suite)

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