@article{discovery1407465,
          number = {21},
           month = {June},
            year = {2002},
           title = {Simultaneous calculation of the helical pitch and the twist elastic constant in chiral liquid crystals from intermolecular torques},
         journal = {Journal of Chemical Physics},
          volume = {116},
            note = {Reprinted with permission from Germano, G; Allen, MP; Masters, AJ; (2002) Simultaneous calculation of the helical pitch and the twist elastic constant in chiral liquid crystals from intermolecular torques. Journal of Chemical Physics, 116 (21) pp. 9422-9430. 10.1063/1.1475747. Copyright 2002, American Institute of Physics.},
           pages = {9422--9430},
             url = {http://dx.doi.org/10.1063/1.1475747},
            issn = {0021-9606},
        abstract = {We present a molecular simulation method that yields simultaneously the equilibrium pitch wave
number q and the twist elastic constant K2 of a chiral nematic liquid crystal by sampling the torque
density. A simulation of an untwisted system in periodic boundary conditions gives the product K2q;
a further simulation with a uniform twist applied provides enough information to separately
determine the two factors. We test our new method for a model potential, comparing the results with
K2q from a thermodynamic integration route, and with K2 from an order fluctuation analysis. We
also present a thermodynamic perturbation theory analysis valid in the limit of weak chirality.},
          author = {Germano, G and Allen, MP and Masters, AJ}
}