Journal of
Systemics, Cybernetics and Informatics

ISSN: 1690-4524 (Online)

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Editorial Advisory Board's Chair
William Lesso

Nagib C. Callaos

Sponsored by
The International Institute of
Informatics and Systemics

Editorial Advisory Board


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No Warranty Express or Implied: Why Do We Have So Many Problems With the Computer Systems That Pervade Our Lives?
John W. Coffey
(pages: 1-6)

Can You Hear Me Now? An Innovative Approach to Assess and Build Connections with Online Learner’s
Tina M. Serafini, Risa Blair
(pages: 7-11)

End-to-end Security with Translation
Kevin E. Foltz
(pages: 12-17)

(Assistive) Technology at the Point of Instruction: Barriers and Possibilities
Lorayne Robertson
(pages: 18-24)

Supplementing Multiple Modalities and Universal Design in Learning with Goal-Setting
Russell Jay Hendel
(pages: 25-30)

Experts Informing Experts
Robert Hammond
(pages: 31-35)

Internet of Things – A New Epistemic Object
Rolf Dornberger, Terry Inglese, Safak Korkut
(pages: 36-44)

An Experiment in Interdisciplinary STEM Education: Insights from the Catholic Intellectual Tradition
Fr. Joseph R. Laracy, Thomas Marlowe, Fr. Gerald J. Buonopane
(pages: 45-53)

Big History Understanding of Complexity, Informatics and Cybernetics
John L. Motloch
(pages: 54-60)

Flourishing Organizations
Maria Jakubik
(pages: 61-72)

Pros & Cons of Smart ICT in Some Governmental Applications
Dusan Soltes
(pages: 73-75)

Information Exchange in Vehicles Ad-Hock Networks
Tomas Zelinka
(pages: 76-80)

Living in a Digital World: Improving Skills to Meet the Challenges of Digital Transformation Through Authentic and Game-Based Learning
Margit Scholl, Frauke Fuhrmann
(pages: 81-86)

Psychotherapy via the Internet as a Novel Tool for Clinical Use
Ulrich Sprick
(pages: 87-94)

Technology Intercepts for Cyber Security Applied to Critical Infrastructures
Mario La Manna
(pages: 95-100)

“And Then a Miracle Occurs …” – Engaging the Challenge of Operationalizing Theories of Success in Digital Transformation
Michael Von Kutzschenbach
(pages: 101-105)

Multidisciplinary Learning Extends Communication Skill, and Helps Cross Cultural Understandings: Biomedical Engineering
Shigehiro Hashimoto
(pages: 106-112)

Integrating Teaching, Research and Problem Solving: An Experience in Progress in the Mucuri Valley Region (Brazil)
Leônidas Conceição Barroso
(pages: 113-118)

Meeting Learning Challenges in Product Design Education with and through Additive Manufacturing
William Lavatelli Kempton, Steinar Killi, Andrew Morrison
(pages: 119-129)

Creating and Using Symbolic Mental Structures via Piaget’s Constructivism and Popper’s Three Worlds View with Falsifiability to Achieve Critical Thinking by Students in the Physical Sciences
Matthew E. Edwards
(pages: 130-134)

Creativity in Higher Education: Comparative Genetic Analyses on the Dopaminergic System in Relation to Creativity, Addiction, Schizophrenia in Humans and Non-Human Primates
Bernard Wallner, Sonja Windhager, Katrin Schaefer, Martin Fieder
(pages: 135-142)





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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