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We describe the development of a scientific cloud computing (SCC) platformthat offers high performance computation capability. The platform consists of ascientific virtual machine prototype containing a UNIX operating system andseveral materials science codes, together with essential interface tools (anSCC toolset) that offers functionality comparable to local compute clusters. Inparticular, our SCC toolset provides automatic creation of virtual clusters forparallel computing, including tools for execution and monitoring performance,as well as efficient I/O utilities that enable seamless connections to and fromthe cloud. Our SCC platform is optimized for the Amazon Elastic Compute Cloud(EC2). We present benchmarks for prototypical scientific applications anddemonstrate performance comparable to local compute clusters. To facilitatecode execution and provide user-friendly access, we have also integrated cloudcomputing capability in a JAVA-based GUI. Our SCC platform may be analternative to traditional HPC resources for materials science or quantumchemistry applications.

A high performance scientific cloud computing environment for materials simulations