Atomic, Molecular, and Optical Sciences

The Atomic, Molecular and Optical Sciences (AMOS) Program supports a balanced portfolio of experiment and theory to study the fundamental properties of atoms, ions and small molecules and the interactions between electrons, photons and ions in collisions with atoms, molecules and surfaces.  Research is focused on the most complete quantum mechanical description of these properties and interactions and is intended to provide a basic understanding of physical processes. The AMOS program plays an underpinning role in relation to other programs within BES in Chemical and Materials Sciences, in relation to current and future BES facilities in which matter is probed with photons, electrons or heavy ions, and in relation to applied efforts in plasma science. AMOS also contributes at the most fundamental level to the science-based optimization of current energy sources and the development of new ones.

Some topics of current interest:

• Studies of the interactions of intense electromagnetic fields, induced by highly charged ions or lasers, with atoms and molecules.
• Coherent control of quantum mechanical processes.
• Development and application of ultrafast x-ray light sources, both laser-based and at BES synchrotron facilities.
• Theory and experiment on ultracold collisions and quantum condensates.

The AMOS Program supports the James R. MacDonald Laboratory at Kansas State University, a multi-investigator research program devoted to experimental and theoretical studies of collisional ionization processes involving highly charged atomic ions and high-intensity laser physics.

Additional details

Contact:  Dr. Jeff Krause

Catalysis Science

This activity supports basic research to understand the chemical aspects of catalysis, both heterogeneous and homogeneous; the chemistry of fossil resources; and the chemistry the molecules used to create advanced materials.  Catalysts are crucial to energy conservation in creating new, less-energy- demanding routes for the production of basic chemical feedstocks and value-added chemicals. Catalysts are also indispensable for processing and manufacturing fuels that are a primary means of energy storage. Results from a fundamental, molecular-level understanding of the syntheses of advanced catalytic materials have the potential of providing new chemicals or materials that can be fabricated with greater energy efficiency or function as energy-saving media themselves.

This activity is the Nation's major supporter of catalysis research, and it is the only activity that treats catalysis as a discipline integrating all aspects of homogeneous and heterogeneous catalysis research.  As discussed in the overview, the U.S. position in catalysis research was recently evaluated by COSEPUP. The report found that there has been a decline of long-term, fundamental research the U.S., and it was recommended that increased funding be provided for catalysis research and for a catalysis research institute to bring together researchers from various sectors.

Additional details

Contact: Dr. Raul Miranda, Dr. Paul H. Maupin, or Dr. Michael J. Chen

Chemical Physics Research

The Chemical Physics program supports basic research on fundamental molecular processes related to the mission of the Department in such areas as combustion, catalysis, and environmental restoration. It is the Nation's principal supporter of high temperature chemical kinetics and gas phase chemical physics and supports the Chemical Dynamics Beamline at the Advanced Light Source, E.O. Lawrence Berkeley National Laboratory. Specific areas of research emphasis include, but are not limited to: gas phase chemical reaction theory, computational chemistry, experimental dynamics and spectroscopy, thermodynamics of reaction intermediates, chemical kinetics and reaction mechanisms at high temperatures in the gas phase and at surfaces, combustion diagnostics, and chemical dynamics and kinetics at surfaces and with metal and semiconductor clusters.

This program also supports operation of the Combustion Research Facility (CRF) at Sandia National Laboratories in California, a collaborative, multi-investigator facility for the study of combustion science and technology. Research at the CRF spans basic to applied with support from BES, the DOE Offices of Energy Efficiency and Renewable Energy and Fossil Energy, and industry. BES-supported research at the CRF combines theory, modeling, and experiment in combustion diagnostics, kinetics, and molecular dynamics. Non-intrusive optical diagnostics such as degenerate four-wave mixing, cavity ring-down spectroscopies, high resolution optical spectroscopy, and ion-imaging techniques have been developed and/or refined at the CRF and applied to both fundamental and applied research projects.

Additional details

Contact:  Dr. Larry Rahn or Dr. Wade Sisk.

Heavy Element Chemistry

This activity supports research in actinide and fission product chemistry. Areas of interest include aqueous and non-aqueous coordination chemistry; solution and solid-state speciation and reactivity; measurement of chemical and physical properties; synthesis of actinide-containing materials; chemical properties of the heaviest actinide and transactinide elements; theoretical methods for the prediction of heavy element electronic and molecular structure and reactivity; and the relationship between the actinides, lanthanides, and transition metals.

This activity represents the Nation's only funding for basic research in the chemical and physical principles of actinide and fission product materials.  The program is primarily based at the national laboratories because of the special licenses and facilities needed to obtain and safely handle radioactive materials.  However, research in heavy element chemistry is supported at universities, and collaborations between university and laboratory programs are encouraged.  The training of graduate students and postdoctoral research associates is viewed as an important responsibility of this activity.  Approximately twenty undergraduate students chosen from universities and colleges throughout the U.S. are given introductory lectures in actinide and radiochemistry each summer.

This activity is closely coupled to the BES separations and analysis activity and to the actinide and fission product chemistry efforts in DOE's Environmental Management Science Program.

Additional details

Contact: Dr. Lester Morss

Solar Photochemistry

The Solar Photochemistry program (formerly the Photochemistry and Radiation Research program) supports fundamental molecular-level research on interactions of radiation with matter in the condensed phase. The photochemistry research effort emphasizes fundamental processes aimed at the capture and chemical conversion of solar energy.  Biomimetic models (photochemical and photoelectrochemical) seek to mimic the key aspects of photosynthesis – antenna, reaction center, catalytic cycles, and product separation. The research encompasses organic and inorganic photochemistry, photoinduced electron and energy transfer, photoelectrochemistry, biophysical aspects of photosynthesis, and molecular assemblies for artificial photosynthesis.  Inorganic and organic photochemical studies provide information on new chromophores, donor-acceptor complexes, and photocatalytic cycles.  Photoelectrochemical conversion is explored in fundamental studies of the semiconductor/liquid interface, colloidal semiconductors, and dye-sensitized solar cells.  Photochemical reactions are investigated in nanoscale heterogeneous environments, such as zeolites, inorganic multilayer films, dendrimers, silica gel, and liposomes. Biophysical studies on photosynthetic antennas and the reaction center provide molecular design criteria for efficient light collection and charge separation in model systems.

The radiation sciences research effort supports fundamental studies on chemical effects produced by absorption of energy from ionizing radiation. The knowledge gained from this research provides the scientific basis for solving problems in environmental waste management and remediation, nuclear energy production, and medical diagnosis and radiation therapy. The radiation chemistry research encompasses heavy ion radiolysis, models for track structure and radiation damage, characterization of reactive intermediates, radiation yields, and radiation-induced chemistry at interfaces. Accelerator-based electron pulse radiolysis methods are employed in studies of highly reactive transient intermediates, and kinetics and mechanisms of chemical reactions in the liquid phase and at liquid/solid interfaces. A national user facility supported by this program, the Notre Dame Radiation Laboratory, features cobalt-60 gamma irradiators, van de Graaff-ESR, van de Graaff-resonance Raman, and a linear accelerator for electron pulse radiolysis experiments.

Additional details

Contacts: Dr. Mark Spitler

Separations and Analysis

This activity supports fundamental research covering a broad spectrum of separation concepts, including membrane processes, extraction under both standard and supercritical conditions, adsorption, chromatography, photo- dissociation, and complexation.  Also supported is work to improve the sensitivity, reliability, and productivity of analytical determinations and to develop entirely new approaches to analysis. This activity is the Nation's most significant long-term investment in many aspects of separations and analysis, including solvent extraction, ion exchange, and mass spectrometry.

Chemical separations are ubiquitous in Department missions and in industry.  An analysis is an essential component of every chemical process from manufacture through safety and risk assessment and environmental protection. The goal of this activity is to obtain a thorough understanding of the basic chemical and physical principles involved in separations systems and analytical tools so that their utility can be realized. Work is closely coupled to the Department's stewardship responsibility for transuranic chemistry and for the clean-up mission; therefore, separation and analysis of transuranic isotopes and their radioactive decay products are important components of the portfolio.

A history of advances made possible by supported research in separations science is available.

Additional details

Contact: Dr. William Millman

[OBES] [Office of Science] [DOE]

Send comments to:  eric.rohlfing@science.doe.gov

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