Computational Science - Iccs 2009: 9th International Conference Baton Rouge, La, USA, May 25-27, 2009 Proceedings, Part II (Paperback, 2009)

'Third Workshop on Teaching Computational Science (WTCS 2009).- Third Workshop on Teaching Computational Science (WTCS 2009).- Combination of Bayesian Network and Overlay Model in User Modeling.- Building Excitement, Experience and Expertise in Computational Science among Middle and High School Students.- Using R for Computer Simulation and Data Analysis in Biochemistry, Molecular Biology, and Biophysics.- Teaching Model for Computational Science and Engineering Programme.- Spread-of-Disease Modeling in a Microbiology Course.- An Intelligent Tutoring System for Interactive Learning of Data Structures.- A Tool for Automatic Code Generation from Schemas.- The New Computational and Data Sciences Undergraduate Program at George Mason University.- Models as Arguments: An Approach to Computational Science Education.- A Mathematical Modeling Module with System Engineering Approach for Teaching Undergraduate Students to Conquer Complexity.- Lessons Learned from a Structured Undergraduate Mentorship Program in Computational Mathematics at George Mason University.- Workshop on Computational Chemistry and Its Applications (4th CCA).- 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.- Density Functional Calculation of the Structure and Electronic Properties of Cu n O n (n=1-4) Clusters.- Effects of Interface Interactions on Mechanical Properties in RDX-Based PBXs HTPB-DOA: Molecular Dynamics Simulations.- Pairwise Spin-Contamination Correction Method and DFT Study of MnH and H2 Dissociation Curves.- Prediction of Exchange Coupling Constant for Mn12 Molecular Magnet Using Dft+U.- A Cheminformatics Approach for Zeolite Framework Determination.- Theoretical Photochemistry of the Photochromic Molecules Based on Density Functional Theory Methods.- Predictions of Two Photon Absorption Profiles Using Time-Dependent Density Functional Theory Combined with SOS and CEO Formalisms.- The Kinetics of Charge Recombination in DNA Hairpins Controlled by Counterions.- Quantum Oscillator in a Heat Bath.- Density Functional Theory Study of Ag-Cluster/CO Interactions.- Time-Dependent Density Functional Theory Study of Structure-Property Relationships in Diarylethene Photochromic Compounds.- Free Energy Correction to Rigid Body Docking : Application to the Colicin E7 and Im7 Complex.- The Design of Tris(o-phenylenedioxy)cyclo-trisphosphazene (TPP) Derivatives and Analogs toward Multifunctional Zeolite Use.- Workshop on Atmospheric and Oceanic Computational Science.- Atmospheric and Oceanic Computational Science.- A Fully Implicit Jacobian-Free High-Order Discontinuous Galerkin Mesoscale Flow Solver.- Time Acceleration Methods for Advection on the Cubed Sphere.- Comparison of Traditional and Novel Discretization Methods for Advection Models in Numerical Weather Prediction.- A Non-oscillatory Advection Operator for the Compatible Spectral Element Method.- Simulating Particulate Organic Advection along Bottom Slopes to Improve Simulation of Estuarine Hypoxia and Anoxia.- Explicit Time Stepping Methods with High Stage Order and Monotonicity Properties.- Improving GEOS-Chem Model Tropospheric Ozone through Assimilation of Pseudo Tropospheric Emission Spectrometer Profile Retrievals.- Chemical Data Assimilation with CMAQ: Continuous vs. Discrete Advection Adjoints.- A Second Order Adjoint Method to Targeted Observations.- A Scalable and Adaptable Solution Framework within Components of the Community Climate System Model.- Workshop on Geocomputation 2009.- GeoComputation 2009.- Grid Workflow Modeling for Remote Sensing Retrieval Service with Tight Coupling.- An Asynchronous Parallelized and Scalable Image Resampling Algorithm with Parallel I/O.- Design and Implementation of a Scalable General High Performance Remote Sensing Satellite Ground Processing System on Perf