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Ab Initio Electronic Structure Calculations with QMCPACK: A Use Case of Good Software Practices

Ab Initio Electronic Structure Calculations with QMCPACK: A Use Case of Good Software Practices
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Monte Carlo , Paul Kent , Xeon Phi , Oak Ridge National Laboratory , Exemplar Use Case , Using Good Software Practices , Performance Portable Framework , Intel Xeon Phi , Exascale Computing Project , Open Multi Processing ,