Hasil Pencarian - Shyam Dwaraknath

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  1. 1
    A representation-independent electronic charge density database for crystalline materials

    A representation-independent electronic charge density database for crystalline materials oleh Jimmy-Xuan Shen, Jason M. Munro, Matthew K. Horton, Patrick Huck, Shyam Dwaraknath, Kristin A. Persson

    Diterbitkan 2022-10-01
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  2. 2
    A framework for quantifying uncertainty in DFT energy corrections

    A framework for quantifying uncertainty in DFT energy corrections oleh Amanda Wang, Ryan Kingsbury, Matthew McDermott, Matthew Horton, Anubhav Jain, Shyue Ping Ong, Shyam Dwaraknath, Kristin A. Persson

    Diterbitkan 2021-07-01
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  3. 3
    Quantum chemical calculations of lithium-ion battery electrolyte and interphase species

    Quantum chemical calculations of lithium-ion battery electrolyte and interphase species oleh Evan Walter Clark Spotte-Smith, Samuel M. Blau, Xiaowei Xie, Hetal D. Patel, Mingjian Wen, Brandon Wood, Shyam Dwaraknath, Kristin Aslaug Persson

    Diterbitkan 2021-08-01
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  4. 4
    A flexible and scalable scheme for mixing computed formation energies from different levels of theory

    A flexible and scalable scheme for mixing computed formation energies from different levels of theory oleh Ryan S. Kingsbury, Andrew S. Rosen, Ayush S. Gupta, Jason M. Munro, Shyue Ping Ong, Anubhav Jain, Shyam Dwaraknath, Matthew K. Horton, Kristin A. Persson

    Diterbitkan 2022-09-01
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  5. 5
    Database of ab initio L-edge X-ray absorption near edge structure

    Database of ab initio L-edge X-ray absorption near edge structure oleh Yiming Chen, Chi Chen, Chen Zheng, Shyam Dwaraknath, Matthew K. Horton, Jordi Cabana, John Rehr, John Vinson, Alan Dozier, Joshua J. Kas, Kristin A. Persson, Shyue Ping Ong

    Diterbitkan 2021-06-01
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  6. 6
    High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications

    High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications oleh Danny Broberg, Kyle Bystrom, Shivani Srivastava, Diana Dahliah, Benjamin A. D. Williamson, Leigh Weston, David O. Scanlon, Gian-Marco Rignanese, Shyam Dwaraknath, Joel Varley, Kristin A. Persson, Mark Asta, Geoffroy Hautier

    Diterbitkan 2023-05-01
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  7. 7
    Shared metadata for data-centric materials science

    Shared metadata for data-centric materials science oleh Luca M. Ghiringhelli, Carsten Baldauf, Tristan Bereau, Sandor Brockhauser, Christian Carbogno, Javad Chamanara, Stefano Cozzini, Stefano Curtarolo, Claudia Draxl, Shyam Dwaraknath, Ádám Fekete, James Kermode, Christoph T. Koch, Markus Kühbach, Alvin Noe Ladines, Patrick Lambrix, Maja-Olivia Himmer, Sergey V. Levchenko, Micael Oliveira, Adam Michalchuk, Ronald E. Miller, Berk Onat, Pasquale Pavone, Giovanni Pizzi, Benjamin Regler, Gian-Marco Rignanese, Jörg Schaarschmidt, Markus Scheidgen, Astrid Schneidewind, Tatyana Sheveleva, Chuanxun Su, Denis Usvyat, Omar Valsson, Christof Wöll, Matthias Scheffler

    Diterbitkan 2023-09-01
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  8. 8
    OPTIMADE, an API for exchanging materials data

    OPTIMADE, an API for exchanging materials data oleh Casper W. Andersen, Rickard Armiento, Evgeny Blokhin, Gareth J. Conduit, Shyam Dwaraknath, Matthew L. Evans, Ádám Fekete, Abhijith Gopakumar, Saulius Gražulis, Andrius Merkys, Fawzi Mohamed, Corey Oses, Giovanni Pizzi, Gian-Marco Rignanese, Markus Scheidgen, Leopold Talirz, Cormac Toher, Donald Winston, Rossella Aversa, Kamal Choudhary, Pauline Colinet, Stefano Curtarolo, Davide Di Stefano, Claudia Draxl, Suleyman Er, Marco Esters, Marco Fornari, Matteo Giantomassi, Marco Govoni, Geoffroy Hautier, Vinay Hegde, Matthew K. Horton, Patrick Huck, Georg Huhs, Jens Hummelshøj, Ankit Kariryaa, Boris Kozinsky, Snehal Kumbhar, Mohan Liu, Nicola Marzari, Andrew J. Morris, Arash A. Mostofi, Kristin A. Persson, Guido Petretto, Thomas Purcell, Francesco Ricci, Frisco Rose, Matthias Scheffler, Daniel Speckhard, Martin Uhrin, Antanas Vaitkus, Pierre Villars, David Waroquiers, Chris Wolverton, Michael Wu, Xiaoyu Yang

    Diterbitkan 2021-08-01
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