Atomistic analysis of nematic phase transition in 4-cyano-4${}^{\prime }$-$n$-alkyl biphenyl liquid crystals: Sampling for the first-order phase transition and the free-energy decomposition

Shunsuke Ogita, Yoshiki Ishii, Go Watanabe +3

Molecular dynamics (MD) simulations were conducted using the generalized replica exchange method (gREM) on the 4-cyano-4${}^{\prime }$-$n$-alkylbiphenyl ($n$CB) system with $n=5$, 6,…