Visualization and Web Services for Studying Molecular Properties

Author

Costantini, Alessandro ; Tasso, Sergio ; Gervasi, Osvaldo

Author_Institution

Dept. of Chem., Univ. of Perugia, Perugia, Italy

fYear

2009

fDate

June 29 2009-July 2 2009

Firstpage

222

Lastpage

228

Abstract

The access to large and distributed computing resources requires by the scientist a strong knowledge of a variety of interfaces and operating system environments. In the present paper we illustrate a prototypical implementation of a user interface based on visualization and Web services implemented for the Computational Chemistry community to use molecular and matter sciences applications in a friendly and intuitive fashion. The application presented allows the final user to study, in a more intuitive and enriched way, the outcomes of the molecular simulation, fostering a better comprehension of properties and mechanisms of the investigated molecular systems.

Keywords

Web services; chemistry computing; data visualisation; grid computing; user interfaces; Computational Chemistry community; Web services; data visualization; distributed computing resources; molecular properties; molecular simulation; operating system; user interface; Chemistry; Computational modeling; Computer interfaces; Distributed computing; Mechanical factors; Operating systems; Prototypes; User interfaces; Visualization; Web services; Computational Science; Virtual Reality; Visualization; Web Services;

fLanguage

English

Publisher

ieee

Conference_Titel

Computational Science and Its Applications, 2009. ICCSA '09. International Conference on

Conference_Location

Yongin

Print_ISBN

978-0-7695-3701-6

Type

conf

DOI

10.1109/ICCSA.2009.41

Filename

5260916