Through the implementation of the free website/smartphone application Sketchfab, we have found a simple means to introduce 3D visual tools into the chemistry classroom. Sketchfab stores 3D models and animations with free cross-platform accessibility. Blender is a free 3D modeling tool that has been used to prepare models and animations for…

The expected thrust for theoretical chemistry in the next decade will be to combine knowledge of fundamental chemical steps/interactions with advances in chemical dynamics, irreversible statistical mechanics, and computer technology to produce simulations of chemical systems with reaction site competition. A sample simulation (using the enzyme…

Describes aims, objectives content, and instructional strategies of a course in systems modelling and control at Imperial College, England. Major problem areas include multivariable control system design, estimation and filtering, and the design and use of adaptive "self-tuning" regulators. (Author/JN)

Describes the features of various computer chemistry programs. Utilization of computer graphics, color, digital imaging, and other innovations are discussed in programs including those which aid in the identification of unknowns, predict whether chemical reactions are feasible, and predict the biological activity of xenobiotic compounds. (CS)

Recent technological advances and new software packages put unprecedented power for experimenting and theory-building in the hands of students at all levels. Microcomputer-based laboratory (MBL) and model-solving tools illustrate the educational potential of the technology. These tools include modeling software and three MBL packages (which are…

Organized from the viewpoint of information retrieval theory, this review addresses issues of chemical information representation, comparison and matching, and retrieval strategies. Additional topics include similarity and clustering, visualization, and molecular diversity. Trends in research and application are identified, and gaps in the…

Discusses current uses of computers in United Kingdom schools, specifically in biology, chemistry, economics, geography, and physics classrooms. Suggests reasons why teachers are using computers and describes their application for simulations; construction, evaluation, and modification of models; and for academic games. (DS)