… coupling approaches which combine different methods at … between continuum and
atomistic), continuum approaches begin … quantum mechanical (or ab initio) methods, atomistic …

… Hybrid methods that combine quantum mechanical … the years has allowed the quantum
mechanical description to extend its … continuum models that are currently used in combination …

… differ by less than the combined error estimates from CCSD(T… still tractable by our
methodologies. Its geometry has been … the paper and its supplementary material. Primary …

… continuum solvation models that are used in the field, and not the only ones discussed herein.
In any case, the combination of a quantum-mechanical (… ) dielectric materials would allow …

… the essence of the “intellectual glue” joining MTM and … ) is dedicated to advanced
quantum-mechanical methods … at the atomic level to the continuum. Moreover, this section is well …

… can describe many properties of materials, such as energy, … Continuum models are infested
with parameters, so they are … is carefully verified in methodological development, another …

… embodied in so-called first principles quantum mechanical methods and their computational
… acceleration methods began to be combined with coupled atomistic-continuum approaches. …

… material science pursues the old alchemist goal: Combining … materials starting from ab initio
quantum mechanical … molecule within a polarizable continuum implicit solvation model for a …

… It includes material for a longer graduate course that will … has discrete or continuum energy
eigenstates depending on … method to solve quantum mechanical problems using the Lambert …

… quantum mechanical mechanisms. Examples of quantum … How to apply this methodology
to the case of ferroic materials … to engineered experimental setups, combining state-of-the-art …