Francis T. Marchese

Fostering Asynchronous Collaborative Visualization

A novel asynchronous collaborative visualization system for the chemical sciences has been created as a mash-up between an interactive visualization program and a wiki. The system supports features such as annotation, information foraging, and visualization session playback. Building the system from predefined disparate components was a simple process. Yet, as an integrated whole, the system displays an unexpected synergy beyond the sum of its parts.

The Potential for Synergy between Information Visualization and Software Engineering Visualization

To be provocative, it could be argued that information visualization is a tool in search of an application. This viewpoint becomes most apparent when one seeks to adopt and adapt practices from the information visualization field and attempt to apply them elsewhere. Software engineering is an appealing area in which a number of researchers have been seeking to leverage some of the benefits that information visualization can bring. Through an examination of the two fields, and their underlying motivations and foci, we highlight an as yet untapped area in which future research efforts should be directed to gain the most impact in software engineering. We also highlight recent concerns from the information visualization field to emphasize the role of establishing criteria through which new contributions can be assessed.

Molecular orbital theory of the hydrogen bond. V. Hydrogen bonding through the lone pair and the pi system in HF–HCN

Ab initio LCAOSCF calculations with a minimal STO‐3G basis set have been performed on dimers HF–HCN with HCN as the proton acceptor molecule. The equilibrium dimer has a linear FH··· NCH structure which is well described by the general hybridization model for the hydrogen bond. Hydrogen bond formation through the π electron system of HCN has also been investigated. It is found that the π dimers do not correspond to equilibrium structures on the intermolecular HF–HCN potential surface.

Adapting single-user visualization software for collaborative use

We present our experiences with adapting single-user visualization software for Web-based collaboration. Suns Java JXTA API was used to adapt an open-source molecular visualization program called Jmol. It was found that by focusing on the programs graphical user interface the software could be quickly transformed into a peer-to-peer application. Our positive experience implies that many useful single-user programs should be transformable into tools that make collaboration across the Web easier to initiate, more spontaneous, and supported by a wide range of visualization software.

Teaching computer graphics with spreadsheets

Spreadsheets are a great way to introduce computer graphicsconcepts to computer science students. Through direct manipulationof numbers, students develop a more concrete understanding of thedata they compute from the formulas they derive and use. This paperpresents some experiences using spreadsheets for in-classdemonstrations and homework assignments.

Exploring the Origins of Tables for Information Visualization

This paper considers the deep history of tables as visualization modalities. It covers four kinds of tables that have appeared between 1900 BCE and 1300 CE: Sumerian accounting tables, chronicles, canon tables, and medieval calendars as representations of some of the earliest milestones in information visualization. Analysis of these tables demonstrates as early as 1300 BCE the need to visualize information had driven the invention of representations that transformed the way information has been communicated and used.

A stereographic table for biomolecular visualization

An inexpensive, stereographic table has been built to support molecular visualization with mainstream software that runs under Microsoft Windows. Indeed, any Windows-based software that supports side-by-side stereo pairs can be easily run on the stereographic table. This paper presents the table design, construction, costs, and initial user experiences.

The use of CNDO/S in spectroscopy. XVI. Multiple photon ICR photodissociation spectra

The theory of two‐photon absorption has been implemented within the CNDO/S‐CI formalism to calculate two‐photon absorptivity of doublet states. The method was utilized to investigate the origins of below threshold optical absorption in ion cyclotron resonance photodissociation spectra of benzene, t‐butylbenzene, styrene, and 1‐methylnaphthalene. The computations suggest that these below threshold processes may be due to simultaneous two‐photon absorption rather than sequential absorption as postulated by Freiser and Beauchamp. Some photodissociation pathways are found to be both mono‐ and biphotonic in nature. Some wavelength dependent processes found in t‐butylbenzene may well be biphotonic and could be competitive with monophotonic absorption below 3.08 eV.

Knowledge Visualization Currents

The domain of knowledge visualization (KV) focuses on the collaborative use of interactive graphics to create, integrate, and apply knowledge. This emerging approach nevertheless builds on decades of research on using images collaboratively for sense making and knowledge sharing. In this chapter, we review the seminal concepts from different disciplines that help to explain how visualizations can effectively act as collaboration catalysts and knowledge integrators. Our review makes it apparent that many different labels and conceptions exist in very different domains to explain the same phenomenon: the integrative power of visuals for knowledgeintensive collaboration processes. These concepts can be used to compile a list of the requirements of an effective KV. We conclude this chapter by showing the theoretical and practical implications of this review.

The Origins and Rise of Medieval Information Visualization

This paper considers the origins of the earliest designs for medieval information visualization. Works by Macrobius, Boëthius, and Isidore of Seville are examined. These works are placed within the timeline of information visualization, and suggestions are made as to their antecedents.