Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Magnetic susceptibilityIn electromagnetism, the magnetic susceptibility (; denoted χ, chi) is a measure of how much a material will become magnetized in an applied magnetic field. It is the ratio of magnetization M (magnetic moment per unit volume) to the applied magnetizing field intensity H. This allows a simple classification, into two categories, of most materials' responses to an applied magnetic field: an alignment with the magnetic field, χ > 0, called paramagnetism, or an alignment against the field, χ < 0, called diamagnetism.