

The MSC research conference is held annually to inform the industrial and government sponsors about the progress made at the MSC each year. The mission of the MSC is to develop first-principles methods for describing the structures and properties of chemical, biological, and materials systems and to apply them to de novo design of industrial catalysts, drugs, nanoscale materials, and processes using a multiscale hierarchy based on quantum, atomistic, mesoscale, and continuum simulations.
Highlights of MSC2006 will include:
1. 3D structure and function of many GPCR’s (include lipids,
peptides)
2. Fuel Cells: H2 Storage, water free membranes
PEM and SOFC
3. Catalysts for methane activation, oxidation, fuel cells
4. Reactive Force
Fields for metal oxide catalysts, combustion, proteolysis
5. Mesoscale simulations: lipids, polysaccharides
6. New Density Functionals and Quantum Monte Carlo methods
7. Nanotechnology: carbon nanotubes, DNA devices,
nanoelectronics
8. Molecular Electronics: hole mobilities, contact resistance
9. Thermoelectrics, Ferroelectrics, Nonlinear optical
Materials
10. Multiparadigm Computational Materials Design Facility
(CMDF)
Sanofi-Aventis Pharma, Berlex Pharma Chevron, Dow Corning,
Intel, Nissan Corp, Pfizer Pharma
Allozyne, Beckman
Institute
Schrödinger
Dell
ONR, DARPA, DOE, NIH, NSF, ARO.
Exxon, Shell, Chevron, Aramco, Total, ENI
3M Company, Aerospace Corp., Amgen Inc, AstraZeneca Pharma,
Beckman Coulter, Berlex, Bristol-Myers Squibb, California Technology Ventures,
Cisco Systems, Dell, General Motors, Hitachi America, IBM, Intel, Johnson &
Johnson, Merck, Microsoft, Northrop Grumman, Novartis Pharma, Pfizer, QUALCOMM,
Raytheon, Sanofi-Aventis, SAFRAN, SeeBeyond Technology Corporation, Sumitomo
Chemical America,
Sun Microsystems.
Copyright © 2006 MSC/Caltech