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

… quantum-mechanical-based and atomistic-based computer modelling and simulations, an
alternative and very accurate methodology, … proposed based on a combination of the nonlocal …

… 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 …

… generate different outputs when interfacial materials are varied. By … We begin, in Section 2,
by examining the continuum-… Then, in Section 3, we explore the quantum-mechanical origin of …

… First, many of the methodologies have been developed … hierarchical approach to high-throughput
quantum mechanical … is also being increasingly combined with DFT calculations and …

… Obviously, such an approach requires the combination of several material … methodology
presented by [126] for the multiscale analysis of heterogeneous brittle materials with continuum …

… 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 …