Published by: Fuji-Keizai, USA & MRG,
Inc.
June 2003
# of Pages: 143
Price: US $998.00
TABLE OF CONTENTS
1. INTRODUCTION AND OVERVIEW
1.1. Modeling at the Nanoscale
1.2. Types of Molecular Modeling Software
2. SCIENCE OF SIMULATION
2.1. Electronic Structures, Thermochemistry and Kinetics
2.2. Molecular Simulations and Mesoscale Methods
2.3. Information Technologies
2.4. Computer Graphics
2.5. QSAR/QSPR
3. CORE TECHNOLOGIES
3.1. Molecular Graphics
3.2. Atomistic Simulation
3.3. Quantum Mechanics
3.4. First Principles Methods
3.5. Semi-Empirical Methods
3.6. Mesoscale Modeling
3.7. Nanoscale Modeling
4. APPLICATIONS FOR MATERIALS MODELING
4.1. Catalysis, Separations, and Reactions Modeling
4.2. Applications of Crystallization and Additives Modeling
4.3. Applications of Formulations and Mixtures
4.4. Applications of Polymers and Colloids Modeling
4.5. Applications of Materials Characterization and Design
4.6 Applications of Solid State and Surface Chemistry
Modeling
5. APPLICATION AREAS
5.1. Aerospace Industry
5.2. Agrochemicals Industry
5.3. Automotive Industry
5.4. Ceramics and Glass Industry
5.5. Electronics Industry
5.6. Chemicals
5.7. Metals Industry
5.8. Pharmaceuticals Industry
5.9. Plastics and Rubber Industry
6. MARKETS
7. MOLECULAR MODELING MARKETS AND OUTLOOK
7.2. Key Sectors Impacted by Molecular Modeling
7.2.1. Chemicals
7.2.2. Pharmaceuticals and Life Sciences
7.2.3. Defense and Aerospace
7.2.4. Manufacturing
7.2.5. Electronics
7.3. Total Market Outlook, 2003-2008
8. INTERNATIONAL TRENDS, ISSUES AND COMPARISONS
8.1. Key European Government Activities
8.1.1. France
8.1.1.1.CNRS (Centre National de la Recherche Scientifique)
8.1.2. French Petroleum Institute (Institut Francais du
Petrole)
8.2. United Kingdom
8.2.1. Daresbury Laboratory, Computational Science and
Engineering
8.3. Japan
8.3.1. Platform for Developing High Function Materials
("Doi Project")
8.3.2. Institute for Molecular Science
8.3.3. Institute for Solid State Physics
8.4. United States
8.4.1. National Institute of Standards and Technology,
Center for Theoretical and Computational Materials Science
(CTMS)
8.4.2. Department of Defense High Performance Computing
Modernization Program (HPCMP)
8.4.3. Air Force Aeronautical Systems Center
8.4.4. NASA, Ames Research Center
9. ACTIVITIES OF MAJOR MOLECULAR MODELING SOFTWARE COMPANIES
9.1. Accelrys
9.2. AngstroVision
9.3. Celestry
9.4. Cambridgesoft
9.5. Cray
9.6. Hypercube
9.7. Kelvin Nanotechnology
9.8. Nanomechanics
9.9. Nanomix
9.10. NanoTitan
9.11. New River Kinematics
9.12. Tripos
9.13. WaveFunction
9.14. Zyvex
10. ACTIVITIES OF REPRESENTATIVE USERS/CUSTOMERS
10.1. EUROPE
10.1.1.Aventis (formerly Rhone-Poulenc)
10.2. BASF
10.2.1.Bayer
10.2.2.DaimlerChrysler
10.2.3.IBM Zurich Research Laboratory
10.2.4.L'Oreal
10.2.5.TotalFinaElf
10.2.6.Unilever
10.3. JAPAN
10.3.1.Asahi Chemical Industry Company
10.3.2.Fujitsu
10.3.3.Mitsubishi Chemical Corp
10.3.4.NEC
10.3.5.Toshiba
10.3.6. Toyota
10.4. UNITED STATES
10.4.1.3M
10.4.2.Air Products and Chemicals
10.4.3.Chevron Corp
10.4.4.Dow Chemical
10.4.5.Motorola
10.4.6.Rohm and Haas
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