Journal of
Systemics, Cybernetics and Informatics
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ISSN: 1690-4524 (Online)


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Editorial Advisory Board's Chair
William Lesso

Editor-in-Chief
Nagib C. Callaos


Sponsored by
The International Institute of
Informatics and Systemics

www.iiis.org
 

Editorial Advisory Board

Editors

Journal's Reviewers
 

Description and Aims

Submission of Articles

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Editorial Peer Review Methodology

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Are We Meeting Pedagogic Requirements? – The Quadratic Equation
Russell Jay Hendel
(pages: 1-7)

Facilitating Effective Student Participation in an Online Environment
Nanda van der Stap, Risa Blair
(pages: 8-11)

Virtual Global Classrooms without Walls: Collaborative Opportunities for Higher Learning Engagement
Cathy MacDonald, Debra Sheppard-LeMoine
(pages: 12-16)

Augmented Reality as Visual Communication for People with ASD
Esteban Menéndez, María Daniela López de Luise
(pages: 17-21)

Study of Race Condition: A Privilege Escalation Vulnerability
Tanjila Farah, Rashed Shelim, Moniruz Zaman, Delwar Alam
(pages: 22-26)

From the Lab to the Field: 3D Technology Supporting Study and Conservation Processes on Ancient Egyptian Artefacts
Paola Buscaglia, Elena Biondi, Alessandro Bovero, Tomasso Quirino
(pages: 27-32)

Digital Forensics Compute Cluster (DFORC2) – A New High Speed Distributed Computing Capability for Digital Forensics
Daniel Gonzales, Zev Winkelman, Trung Tran, Ricardo Sanchez, Dulani Woods, John Hollywood
(pages: 33-38)

Proposal of a Bus Location System Based on Participatory Sensing with BLE Devices and Smartphones
Katsuhiro Naito, Katsuyuki Tanaka
(pages: 39-44)

Technical Change and Employment in an Emerging Economy
Humberto Merritt
(pages: 45-53)

Interpretation of the Results of a Case Study about Impacts and Influences of Exogenous Variables in the Planning of Chronogram and Budget in Software Projects
Altino José Mentzingen de Moraes
(pages: 54-59)

Flipped Classroom – A Flexible Way of Teaching Technology Usage for Diagnostics in the Medical Subdomain ENT
Walter Koch, Jochen Schachenreiter, Klaus Vogt, Gerda Koch
(pages: 60-64)

ERP Selection: The Lifeblood of an Organization
Desmond (Tres) Bishop
(pages: 65-69)

Proposing an Education System to Judge the Necessity of Nuclear Power in Japan
Ariyoshi Kusumi
(pages: 70-74)

Biometric Encryption System for Increased Security
Ranjith Jayapal, Pramod Govindan
(pages: 75-80)

BIM as a Structural Safety Study Tool in Case of Fire - BIMSCIP
Marcelo Franco Porto, José Ricardo Queiroz Franco, Luiza Giori Barcellos Correa, Lucas Vinicius Ribeiro Alves, Renata Maria Abrantes Baracho
(pages: 81-86)

Evaluating the Construct Validity of Basic Science Curriculum Assessment Instrument for Critical Thinking: A Case-Study
Chau-Kuang Chen, Adriana Marie Horner, Michelle Scott, Stephanie C. McClure
(pages: 87-92)

The Outer Banks Study – Physio-Chemical Parameters for Water Quality Testing/Professional Development Program for Teachers
Joseph Stringer, Timothy Bowman, Keith Vinson, Catherine Warnecke, Nora Lewis, William Slattery, Suzanne K. Lunsford
(pages: 93-97)


 

Abstracts

 


ABSTRACT


A Grid-Based Cyber Infrastructure for High Performance Chemical Dynamics Simulations

Khadka Prashant, Yu Zhuang, Upakarasamy Lourderaj, William L. Hase


Chemical dynamics simulation is an effective means to study atomic level motions of molecules, collections of molecules, liquids, surfaces, interfaces of materials, and chemical reactions. To make chemical dynamics simulations globally accessible to a broad range of users, recently a cyber infrastructure was developed that provides an online portal to VENUS, a popular chemical dynamics simulation program package, to allow people to submit simulation jobs that will be executed on the web server machine. In this paper, we report new developments of the cyber infrastructure for the improvement of its quality of service by dispatching the submitted simulations jobs from the web server machine onto a cluster of workstations for execution, and by adding an animation tool, which is optimized for animating the simulation results. The separation of the server machine from the simulation-running machine improves the service quality by increasing the capacity to serve more requests simultaneously with even reduced web response time, and allows the execution of large scale, time-consuming simulation jobs on the powerful workstation cluster. With the addition of an animation tool, the cyber infrastructure automatically converts, upon the selection of the user, some simulation results into an animation file that can be viewed on usual web browsers without requiring installation of any special software on the user computer. Since animation is essential for understanding the results of chemical dynamics simulations, this animation capacity provides a better way for understanding simulation details of the chemical dynamics. By combining computing resources at locations under different administrative controls, this cyber infrastructure constitutes a grid environment providing physically and administratively distributed functionalities through a single easy-to-use online portal

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