Magnetoelectric coupling, the control of the electric polarization by an external magnetic field, or reciprocally, the control of the magnetic polarization by an external electric field, is a key mechanism for the manipulation of ferroic ordering in the solid state with minimal energy dissipation. In particular, the generation of magnetic fields with coils is associated with ohmic loss, whereas use of electric voltage as a knob to magnetic order requires very small electric current. This holds the promise for cross-coupled functionality of considerable technological interest, yet at the same time constitute a playground for fundamental research on the interplay of low energy excitations in condensed matter systems. Closely related to magnetoelectric materials are multiferroic quantum materials which exhibit magnetic and ferroelectric long range order simultaneously, and are promising candidates for use in spintronic applications. In the current project we will perform modelling from first principles of one class of multiferroic materials, namely orthorombic manganite perovskite materials. We will make use of density functional theory (DFT) programs to calculate electronic ground states and effective coupling parameters for force couplings and magnetic interaction. The so obtained parameters will be used in spin-lattice dynamics simulation. Taken together the approach makes it possible to simulate the multiferroic phase diagrams and the excitation spectra a finite temperatures. The force couplings will be calculated with the pseudopotential DFT program Quantum Espresso together with Phonopy or Alamode. Magnetic exchange interactions will be calculated with the RSPt program for a reference spin structure, e.g. a ferromagnetic or collinear antiferromagnetic ordering, by means of the LKAG-formula. The spin-lattice dynamics simulations will be performed with the UppASD code. The primary observables from spin-lattice dynamics simulations are correlation functions formulated in terms of spin, displacement and velocities. For thermal equilibrium the primary quantity is the dynamic structure factor which is calculated as the Fourier transform over space and time of the pair correlation functions. Whereas zero-temperature dispersion relations can be worked out from the magnetic Hamiltonian and the lattice dynamical matrix respectively, sampling of the four-dimensional (three space, one energy/time dimension) quantity S(q,E) offers additional information on broadening and lifetimes. The current project is part of Daichi Kondo’s master thesis project.