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Framework generates communication-optimal algorithms for contracting distributed tensors; may represent new state of the art

July 2014
Tensor contractions, generalized matrix multiplications that are time-consuming to calculate, make them among the most compute-intensive operations in several ab initio computational quantum chemistry methods. In this work, Sriram Krishnamoorthy, a research scientist with ACMD’s High Performance Computing group, along with scientists from The Ohio State University, developed a systematic framework that uses three fundamental communication operators—recursive broadcast, rotation, and reduction—to derive communication-efficient algorithms for distributed contraction of arbitrary dimensional tensors on the IBM Blue Gene/Q Mira supercomputer. The framework automatically models potential space-performance trade-offs to optimize the communication costs incurred in executing tensor contractions on supercomputers. The paper documenting this work, “Communication-optimal Framework for Contracting Distributed Tensors,” is a SC14 Best Paper award finalist.

Cherry Picking Molecules Based on Their Pi Electrons

New material has second-to-none selectivity for ethylene, a high-demand industrial chemical

July 2014

Specialized windshield glass, everyday plastic water bottles, and countless other products are based on ethylene. Manufacturing it requires an energy-intense separation process that plucks the desired chemical from nearly identical ethane. To ease the energy required, an international team including researchers at Pacific Northwest National Laboratory designed a material with a porous framework that greatly prefers ethylene. The material contains silver that binds with the electrons around ethylene's double-bonded carbon atoms. These electrons are known as π electrons or the π cloud.

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