Exploration of Reaction Pathways and Chemical Transformation Networks

For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly. These approaches differ in their application range, the level of completeness of the exploration, as well as the amount of heuristics and human intervention required. Here, we describe and compare the different approaches based on these criteria. Future directions leveraging the strengths of chemical heuristics, human interaction, and physical rigor are discussed.Comment: 48 pages, 4 figure

Interaction Design: Foundations, Experiments

Interaction Design: Foundations, Experiments is the result of a series of projects, experiments and curricula aimed at investigating the foundations of interaction design in particular and design research in general. The first part of the book - Foundations - deals with foundational theoretical issues in interaction design. An analysis of two categorical mistakes -the empirical and interactive fallacies- forms a background to a discussion of interaction design as act design and of computational technology as material in design. The second part of the book - Experiments - describes a range of design methods, programs and examples that have been used to probe foundational issues through systematic questioning of what is given. Based on experimental design work such as Slow Technology, Abstract Information Displays, Design for Sound Hiders, Zero Expression Fashion, and IT+Textiles, this section also explores how design experiments can play a central role when developing new design theory

Non-classical computing: feasible versus infeasible

Physics sets certain limits on what is and is not computable. These limits are very far from having been reached by current technologies. Whilst proposals for hypercomputation are almost certainly infeasible, there are a number of non classical approaches that do hold considerable promise. There are a range of possible architectures that could be implemented on silicon that are distinctly different from the von Neumann model. Beyond this, quantum simulators, which are the quantum equivalent of analogue computers, may be constructable in the near future