We evaluate the impact of a gigabit network on the implementation of a distributed chemical process optimization application. The optimization problem is formulated as a stochasti...
Background: An adaptive coarse-grained (kinetic) Monte Carlo (ACGMC) simulation framework is applied to reaction and diffusion dynamics in inhomogeneous domains. The presented mod...
Stuart Collins, Michail Stamatakis, Dionisios G. V...
Abstract— We consider the simplest model for controlling the rotation of a molecule by the action of an electric field, namely a quantum planar pendulum. This problem consists i...
Ugo V. Boscain, Thomas Chambrion, Paolo Mason, Mar...
The relation between atomistic structure, architecture, molecular weight and material properties is a basic concern of modern soft material science. This by now goes far beyond st...
Matej Praprotnik, Christoph Junghans, Luigi Delle ...
This paper discusses the development of a set of object-oriented modular simulation tools for solving lumped and spatially distributed models generated from chemical process desig...