Molecular Science Research Center annual report
The Chemical Structure and Dynamics group is studying chemical kinetics and reactions dynamics of terrestrial and atmospheric processes as well as the chemistry of complex waste forms and waste storage media. Staff are using new laser systems and surface-mapping techniques in combination with molecular clusters that mimic adsorbate/surface interactions. The Macromolecular Structure and Dynamics group is determining biomolecular structure/function relationships for processes the control the biological transformation of contaminants and the health effects of toxic substances. The Materials and Interfaces program is generating information needed to design and synthesize advanced materials for the analysis and separation of mixed chemical waste, the long-term storage of concentrated hazardous materials, and the development of chemical sensors for environmental monitoring of various organic and inorganic species. The Theory, Modeling, and Simulation group is developing detailed molecular-level descriptions of the chemical, physical, and biological processes in natural and contaminated systems. Researchers are using the full spectrum of computational techniques. The Computer and Information Sciences group is developing new approaches to handle vast amounts of data and to perform calculations for complex natural systems. The EMSL will contain a high-performance computing facility, ancillary computing laboratories, and high-speed data acquisition systems for all major research instruments.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- DOE/ER
- DOE Contract Number:
- AC06-76RL01830
- OSTI ID:
- 5994894
- Report Number(s):
- PNL-7624; ON: DE91008429
- Country of Publication:
- United States
- Language:
- English
Similar Records
Theory, Modeling and Simulation: Research progress report 1994--1995
Basic Research Needs for Carbon Capture: Beyond 2020
Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
59 BASIC BIOLOGICAL SCIENCES
BATTELLE PACIFIC NORTHWEST LABORATORIES
RESEARCH PROGRAMS
CAMPHOR
OXIDATION
CRISTOBALITE
SURFACE PROPERTIES
KAOLINITE
QUANTUM MECHANICS
POLYATOMIC MOLECULES
LASER SPECTROSCOPY
PROTEINS
MASS SPECTROSCOPY
ELECTRONIC STRUCTURE
HALOGENATED ALIPHATIC HYDROCARBONS
MOLECULAR STRUCTURE
NUCLEAR MAGNETIC RESONANCE
PARALLEL PROCESSING
PROGRESS REPORT
SUPERCOMPUTERS
ALUMINIUM COMPOUNDS
ALUMINIUM SILICATES
CHALCOGENIDES
CHEMICAL REACTIONS
COMPUTERS
DIGITAL COMPUTERS
DOCUMENT TYPES
KETONES
MAGNETIC RESONANCE
MECHANICS
MINERALS
MOLECULES
NATIONAL ORGANIZATIONS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
OXIDE MINERALS
OXIDES
OXYGEN COMPOUNDS
PROGRAMMING
RESONANCE
SILICATE MINERALS
SILICATES
SILICON COMPOUNDS
SILICON OXIDES
SPECTROSCOPY
TERPENES
US DOE
US ERDA
US ORGANIZATIONS
400201* - Chemical & Physicochemical Properties
360602 - Other Materials- Structure & Phase Studies
550200 - Biochemistry