… This review of multiscale modeling covers a brief history of various multiscale methodologies
… the various influence of multiscale modeling on different disciplines, and some examples of …

… We present a flexible and efficient framework for multiscale modeling in computational
chemistry (MiMiC). It is based on a multiple-program multiple-data (MPMD) model with loosely …

… been one of the great challenges in computational chemistry. This is particularly true for …
(16) For the computational modeling of chemical reactions in solution, the ideal model system …

… a system, while retaining high computational efficiency. Moreover, … computational chemistry.
This flexibility is of utmost importance in the light of the rapid development of computational …

… Multiscale computational modeling aims to connect the complex … Recent applications of
multiscale modeling across … much like the computational chemistry and physics first principles …

… scientists in computational physics, computational chemistry and computational biology and
… There were lectures on computational multiscale techniques in the morning sessions of the …

… serious multiscale problems can be contemplated, and there is an urgent need from science
and technology—nano-science being a good example—for multiscale modeling techniques…

… Our work focuses on developing a multiscale modeling approach to molecular electronic
devices. We combine electronic structure calculations to determine the nature of the metal–…

… -chemical multiscale simulations,” which combine different levels of quantum-chemical …
Particularly for such quantum-chemical multiscale simulations one encounters very complex …

… have two computational packages become available to a wider computational chemistry …
We have now developed a new software package under the name MagiC for the computation of …