Cutaway view of thin film growth in overhang structure for semiconductor applications |
 Theoretical Division Group T-12
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The Theoretical Chemistry & Molecular Physics Group at Los Alamos is staffed by theoretical chemists and physicists who work on projects to improve our understanding of the behavior of materials. Generally, projects in the group seek to describe how basic forces operating at the atomic and molecular level manifest themselves in the properties of matter at more macroscopic levels. Current activities in T-12 include research both in gas phase and condensed phase phenomena. These projects apply state-of-the-art computational approaches for fundamental and applied studies of the physics and chemistry of molecules and materials. Research projects include the development and application of techniques for calculating the electronic properties of molecules, the dynamics and kinetics of chemical reactions, atomistic simulations of materials, molecular modeling of catalysts, the study of solute-solvent interactions, and chemical process modeling. |
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