Computational Science – ICCS 2009

1. Front Matter

   PDF

2. Third Workshop on Teaching Computational Science (WTCS 2009)

   1. Front Matter

      Pages 1-1

      PDF

   2. Third Workshop on Teaching Computational Science (WTCS 2009)

      • Alfredo Tirado-Ramos, Angela Shiflet

      Pages 3-4

   3. Combination of Bayesian Network and Overlay Model in User Modeling

      • Loc Nguyen, Phung Do

      Pages 5-14

   4. Building Excitement, Experience and Expertise in Computational Science among Middle and High School Students

      • Patricia Jacobs

      Pages 15-24

   5. Using R for Computer Simulation and Data Analysis in Biochemistry, Molecular Biology, and Biophysics

      • Victor A. Bloomfield

      Pages 25-33

   6. Teaching Model for Computational Science and Engineering Programme

      • Hayden Stainsby, Ronal Muresano, Leonardo Fialho, Juan Carlos González, Dolores Rexachs, Emilio Luque

      Pages 34-43

   7. Spread-of-Disease Modeling in a Microbiology Course

      • George W. Shiflet, Angela B. Shiflet

      Pages 44-52

   8. An Intelligent Tutoring System for Interactive Learning of Data Structures

      • Rafael del Vado Vírseda, Pablo Fernández, Salvador Muñoz, Antonio Murillo

      Pages 53-62

   9. A Tool for Automatic Code Generation from Schemas

      • Antonio Gavilanes, Pedro J. Martín, Roberto Torres

      Pages 63-73

   10. The New Computational and Data Sciences Undergraduate Program at George Mason University

       • Kirk Borne, John Wallin, Robert Weigel

       Pages 74-83

   11. Models as Arguments: An Approach to Computational Science Education

       • D. E. Stevenson

       Pages 84-92

   12. A Mathematical Modeling Module with System Engineering Approach for Teaching Undergraduate Students to Conquer Complexity

       • Hong Liu, Jayathi Raghavan

       Pages 93-102

   13. Lessons Learned from a Structured Undergraduate Mentorship Program in Computational Mathematics at George Mason University

       • John Wallin, Tim Sauer

       Pages 103-110

3. Workshop on Computational Chemistry and Its Applications (4th CCA)

   1. Front Matter

      Pages 111-112

      PDF

   2. First Principle Study of the Anti– and Syn–Conformers of Thiophene–2–Carbonyl Fluoride and Selenophene–2–Carbonyl Fluoride in the Gas and Solution Phases

      • Hassan H. Abdallah, Ponnadurai Ramasami

      Pages 114-121

   3. Density Functional Calculation of the Structure and Electronic Properties of Cu _n O _n (n=1-4) Clusters

      • Gyun-Tack Bae, Randall W. Hall

      Pages 122-130

   4. Effects of Interface Interactions on Mechanical Properties in RDX-Based PBXs HTPB-DOA: Molecular Dynamics Simulations

      • Mounir Jaidann, Louis-Simon Lussier, Amal Bouamoul, Hakima Abou-Rachid, Josée Brisson

      Pages 131-140

   5. Pairwise Spin-Contamination Correction Method and DFT Study of MnH and H2 Dissociation Curves

      • Satyender Goel, Artëm E. Masunov

      Pages 141-150

   6. Prediction of Exchange Coupling Constant for Mn12 Molecular Magnet Using Dft+U

      • Shruba Gangopadhyay, Artëm E. Masunov, Eliza Poalelungi, Michael N. Leuenberger

      Pages 151-159

“There is something fascinating about science. One gets such wholesale returns of conjecture out of such a tri?ing investment of fact. ” Mark Twain, Life on the Mississippi The challenges in succeeding with computational science are numerous and deeply a?ect all disciplines. NSF’s 2006 Blue Ribbon Panel of Simulation-Based 1 Engineering Science (SBES) states ‘researchers and educators [agree]: com- tational and simulation engineering sciences are fundamental to the security and welfare of the United States. . . We must overcome di?culties inherent in multiscale modeling, the development of next-generation algorithms, and the design. . . of dynamic data-driven application systems. . . We must determine better ways to integrate data-intensive computing, visualization, and simulation. - portantly,wemustoverhauloureducationalsystemtofostertheinterdisciplinary study. . . The payo?sformeeting these challengesareprofound. ’The International Conference on Computational Science 2009 (ICCS 2009)explored how com- tational sciences are not only advancing the traditional hard science disciplines, but also stretching beyond, with applications in the arts, humanities, media and all aspects of research. This interdisciplinary conference drew academic and industry leaders from a variety of ?elds, including physics, astronomy, mat- matics,music,digitalmedia,biologyandengineering. Theconferencealsohosted computer and computational scientists who are designing and building the - ber infrastructure necessary for next-generation computing. Discussions focused on innovative ways to collaborate and how computational science is changing the future of research. ICCS 2009: ‘Compute. Discover. Innovate. ’ was hosted by the Center for Computation and Technology at Louisiana State University in Baton Rouge.

• CSS
• Hardware
• Intercultural Communicative Competence
• Processing
• computer
• computer network
• image processing
• numerical methods
• optimization
• simulation

• Center for Computation & Technology, Louisiana State University, Baton Rouge, USA

  Gabrielle Allen

• Poznań Supercomputing and Networking Center, Poznań, Poland

  Jarosław Nabrzyski

• Center for Computation and Technology, Louisiana State University, Baton Rouge, USA

  Edward Seidel

• Department of Mathematics and Computer Science, University of Amsterdam, Amsterdam, The Netherlands

  Geert Dick Albada

• Computer Science Department, University of Tennessee, Knoxville, USA

  Jack Dongarra

• Faculty of Sciences, Section of Computational Science, University of Amsterdam, Amsterdam, The Netherlands

  Peter M. A. Sloot

Policies and ethics