Visualization: A cognition amplifier

Abstract

Computational codes produce huge quantities of numbers, but what scientists seek is insight. That is, they want to know what these numbers reveal about the phenomena under study. Visualization, transforming data into graphical structures, can enhance research effectiveness by leveraging human visual perceptual capabilities. Evolved over millions of years for survival, these capabilities enable us to see structures and perceive correlations and regularities around us. When properly visualized, we can apply these same perception capabilities, with little rational effort, to our data. In this tutorial, after analyzing a short definition of visualization, its major concepts will be seen in action using a popular chemistry visualization tool. The tutorial closes discussing paths for continued exploration of the future potential of these visualization techniques and tools. V C 2013 Wiley Periodicals, Inc.

Chemistry Education Fostering Creativity in the Digital Era

“…In the digital era visualization, transforming data into graphical structures, is aided by the computer and becomes interactive . The aim of producing visual representations of data, though, remains unvaried: to amplify the understanding of the phenomena being studied as “understanding often comes from seeing” …”

CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids

“…Visualization tools are becoming more and more important to analyze, help in understanding, and present scientific data . Nowadays, this is particularly true in the realm of computational molecular and solid‐state chemistry for which a paramount number of data can be obtained from more robust and multipurpose computational codes and through the accessibility of powerful computing facilities.…”

“…Visualization tools are becoming more and more important to analyze, help in understanding, and present scientific data. [1] Nowadays, this is particularly true in the realm of computational molecular and solid-state chemistry for which a paramount number of data can be obtained from more robust and multipurpose computational codes and through the accessibility of powerful computing facilities. In the world of computational solid-state chemistry, several different software exist for the ab initio study of physical and chemical properties of periodic systems as polymers, surfaces, and crystalline solids.…”

An animated visualization of orbital angular momentum and spin‐orbit coupling

“…Visualization of molecular orbitals, electron densities, and other molecular properties is an extremely useful tool in quantum chemistry. When abstract mathematical quantities are represented as visible entities, the mind can grasp them more intuitively, potentially leading to faster and deeper understanding . There is significant ongoing research into new visualization methods, so as “to understand and rapidly process the radically expanding deluge of data which molecular simulations are capable of generating”; most of this is concerned with 2D display of data on paper or a computer screen, but virtual reality applications, allowing manipulation of or interaction with a simulated chemical system, are a rapidly expanding subfield .…”