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Combinatorial methods can reduce costs for software testing, and have significant applications in software engineering: Combinatorial or t-way testing is a
Ab initio computational chemistry is considered to be one of the holy grails of computational science. The benefits to society range from lighter, stronger
The definitions of cyber-physical systems (CPS) and the Internet of Things (IoT) are converging over time to include a common emphasis on hybrid systems of
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, public domain software to conduct molecular and particle-based
The flow of polymer composites via injection molding, spraying or spreading on surfaces is crucial to polymer composite manufacturing. For single-phase liquids
Theory and simulation are used to advance our understanding of pure and multicomponent fluids confined in tight spaces, such as the pores of a zeolite, metal
The Virtual Cement and Concrete Testing Laboratory (VCCTL) project develops and integrates state-of-the-art computational materials science tools into a user
Micromagnetics concerns the patterns of magnetization that arise in materials on the scale of nanometers. Understanding these structures is key to technologies