Permutation-invariant collective variable to track and drive vacancy dynamics in simulations of solids
Jan M. Knaup, Michael Wehlau, and Thomas Frauenheim
Phys. Rev. B 88, 220101(R) (2013) - Published 13 December, 2013
First-principles free energy calculations of the structural phase transition in LiBH with I, Cl, Na, and K substitution
N. Bernstein, M. D. Johannes, and Khang Hoang
Phys. Rev. B 88, 220102(R) (2013) - Published 20 December, 2013