SBIR Phase II: Personal Computer Based Intergrated Software and Hardware for Ab Initio Molecular Modeling

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This Small Business Innovation Research (SBIR) Phase II project is a continuation of the successful Phase I project. During this program, a software-hardware system was developed based on high end micro-processors working in parallel and running a fully parallel state-of-the-art quantum chemistry program. The QuantumStation offers supercomputer performance at a fraction of the cost. During Phase II, a larger machine will be built, with 32 processors, capable of solving Grand-Challenge type problems; improving the parallel and serial performance of the code and enhancing program capability. The personal computer based software/hardware system will be of interest to chemical and pharmaceutical companies involved in drug and material design, as well as, University research departments and modeling groups. It is affordable even by individual researchers and bench chemists.