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EXAALT-ing Molecular Dynamics to the Power of Exascale

EXAALT-ing Molecular Dynamics to the Power of Exascale
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Exascale atomisticsAidan thompsonDanny perezComputing research at sandia national laboratoriesNational energy research scientific computing centerTheoretical division at los alamos national laboratorySandia national laboratoriesOak ridge national laboratory frontierDepartment of energyExascale computing projectTheoretical divisionLos alamos national laboratoryMolecular massively parallel simulatorParallel trajectory splicingLos alamos transferable tight bindingSpectral neighbor analysis potential

E4S: Much More Than Just the Delivery Vehicle for Hardened and Robust HPC Libraries and Tools

E4S: Much More Than Just the Delivery Vehicle for Hardened and Robust HPC Libraries and Tools
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United statesUnited kingdomUniversity of oregonSameer shendeJames willenbringMike herouxSandia national laboratory xyceSoftware ecosystemOregon advanced computing institute for scienceComputing research at sandia national laboratoriesUs department of energy office scienceDelivery software development kitAmazon web servicesNational science foundationLawrence livermore national laboratoryScale scientific software stack