The present work addresses the design of structure-preserving numerical methods that emanate
from the general equation for non-equilibrium reversible-irreversible coupling (GENERIC)
formalism. Novel energy-momentum (EM) consistent time-stepping schemes in the realm of
molecular dynamics are proposed. Moreover the GENERIC-based structure-preserving numerical
methods are extended to the context of large-strain thermoelasticity and
thermo-viscoelasticity.