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Catalysis

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Big Data approaches

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2 results in Keywords: Big Data approaches

Catalysis-in-a-Box: Robotic Screening of Catalytic Materials in the Time of COVID-19

Gaurav Kumar, Hannah Bossert, Daniel McDonald, Anargyros Chatzidmitriou, M. Alexander Ardagh, Yutong Pang, ChoongSze Lee, Michael Tsapatsis, Omar Abdelrahman, Paul Dauenhauer

Version 2 posted 05 May 2020

1,736

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Theoretical and Computational Chemistry

Hadoop Spark Based Hydrogen Bond Analysis Tool (H-BAT) for Molecular Dynamics Simulation Trajectory Data

Sandeep Surendra Malviya, Ramakrishnan Edyapatti Periyasamy, Vinod Jani, Mallikarjunachari Uppuladinne V N, Ankita Sonawane, Shruti Koulgi, Uddhavesh Sonavane, Rajendra Joshi

Version 1 posted 11 September 2020

1,085

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