876 citations · 2.5k across the 28 of their papers we have counts for
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cond-mat.mtrl-sci2017★ 77 cited
Computing the Absolute Gibbs Free Energy in Atomistic Simulations: Applications to Defects in Solids
Bingqing Cheng, Michele Ceriotti
The Gibbs free energy is the fundamental thermodynamic potential underlying the relative stability of different states of matter under constant-pressure conditions. However, comput…
cond-mat.stat-mech2017★ 21 cited
The Gibbs free energy of homogeneous nucleation: from atomistic nuclei to the planar limit
Bingqing Cheng, Gareth A. Tribello, Michele Ceriotti
In this paper we discuss how the information contained in atomistic simulations of homogeneous nucleation should be used when fitting the parameters in macroscopic nucleation model…