Great new work by @SudheeshkmarE @johnkitchin @rachel_kurchin @zackulissi et al @cmu_mse @CMU_ChemE @CMUEngineering @dicp_cas @UCDavisCOE @AIatMeta - 'Generalization of #graph-based active learning relaxation...#materials'-iopscience.iop.org/article/10.108… #machinelearning #compchem #DFT
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@MLSTjournal @johnkitchin @SudheeshkmarE @rachel_kurchin @zackulissi @cmu_mse @CMU_ChemE @CMUEngineering @dicp_cas @UCDavisCOE @AIatMeta @Meta @CarnegieMellon @OpenCatalyst @IOPmaterials @JPhysCM Sounds wonderful! Hope it is as easy to use.