Kavli Affiliate: Jia Liu | First 5 Authors: Jitai Yang, Ke Li, Jia Liu, Jia Nie, Hui Li | Summary: In condensed matter physics, particularly in perovskite materials, the rotational motion of molecules and ions is associated with important issues such as ion conduction mechanism. Constrained Molecular Dynamics (MD) simulations offer a means to separate […]
Continue.. A Rotational/Roto-translational Constraint Method for Condensed Matter