Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods.
Giacomello A, Meloni S, Müller M, Casciola CM.
Giacomello A, et al.
J Chem Phys. 2015 Mar 14;142(10):104701. doi: 10.1063/1.4913839.
J Chem Phys. 2015.
PMID: 25770551
The string method is a general and flexible strategy to compute the most probable transition path for an activated process (rare event). ...Furthermore, we analyze the algorithmic analogies between the continuum "interface" string method and CREaM [Giacomello et al. …
The string method is a general and flexible strategy to compute the most probable transition path for an activated process (rare even …