RT @Sidd_Deshp: Finally published in @NatureComms!! The work builds on our package @surfgraphs (https://t.co/uhL4Apv4kk) to develop data-dr…
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Finally published in @NatureComms!! The work builds on our package @surfgraphs (https://t.co/uhL4Apv4kk) to develop data-driven models to identify relevant atomistic models for complex heterogeneous catalytic surfaces. Thanks to @mepgg and his ML skills t
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Tristan is one of the best peopleI to work with. Has a unique ability to think at the intersection of algorithms and chemical sciences (especially atomic scale sim.). Check out this publication of his amongst the countless others he has contributed to: htt
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Graph theory approach to determine configurations of multidentate and high coverage adsorbates for heterogeneous catalysis @GroupGreeley https://t.co/8VDxU4ZVMw