Kulakova L., Arampatzis G., Angelikopoulos P., Hadjidoukas P., Papadimitriou C., Koumoutsakos P. (2017)
The Lennard-Jones (LJ) potential is a cornerstone of Molecular Dynamics (MD) simulations and among the most widely used computational kernels in science. The LJ potential models atomistic attraction and repulsion with ...