Hello, A new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee. Applicant's name: Julius Jellinek Applicant's institution: ANL Applicant's division: CSE Project Name: Comp_Nanocatalysis Project title: Theoretical/Computational Studies of the Fundamentals of One-Component and Alloy Metal Based Nanocatalysis Relevant to Alternative Sources of Energy Associated funding: BES/DOE Other Systems: NERSC, ~400000 core-hours Science: The central objective of this project is to characterize the chemical reactivity and catalytic functionality of one-component and alloy metal nanoparticles as a function of their size, structure and composition, as well as the material and morphology of their supports. The reactions considered will be those of relevance to alternative sources of energy. Project description: We will primarily use the NWChem package. Project URL: http://www.anl.gov/catalysis-science/index.html Requested allocation: 300000 Justification: The allocation request is based on estimates made at NERSC The requester has used 0 hours of their initial startup project. In addition to approving an initial amount, please specify a Category and Subcategory for this project. For a list of the current selection of approved categories, please see: https://wiki.lcrc.anl.gov/wiki/Processes/Categories Once the Allocation committee has approved the project, please go to the Project Management page to create it: https://accounts.lcrc.anl.gov/projects.php Thank You, The LCRC Accounts System