Julien Tranchida
Sandia National Laboratories

Coupling magnetic and mechanical phenomena with LAMMPS

Through the recently added SPIN package, LAMMPS now allows to couple magnetic and mechanical phenomena at unprecedented accuracy and scale. A brief overview of the implemented parallel spin-lattice algorithms, and of the magnetic interactions that can be combined with any other potential already in LAMMPS will be first presented.

We will then present some recent developments, such as an implementation of a magnetic nudged-elastic band approach, and the implementation of reciprocal space methodologies to ac- count for long-range magnetic dipole-dipole interactions, and finally discuss some recent spin-lattice calculations performed with the SPIN package.