Publications
X Author: Shyam S. Dwaraknath
2020
Todd, Paul K., Allison Wustrow, Rebecca D. McAuliffe, Matthew J. McDermott, Gia Thinh Tran, Brennan C. McBride, Ethan D. Boeding, Daniel O’Nolan, Chia-Hao Liu, Shyam S. Dwaraknath, Karena W. Chapman, Simon J.L. Billinge, Kristin A. Persson, Ashfia Huq, Gabriel M. Veith, and James R. Neilson."Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO 3Polymorphs."Inorganic Chemistry
59.18 (2020) 13639 - 13650. DOI
Ling, Handong, Shyam S. Dwaraknath, and Kristin A. Persson."Origin of Disorder Tolerance in Piezoelectric Materials and Design of Polar Systems."Chemistry of Materials
32.7 (2020) 2836 - 2842. DOI
2019
Garten, Lauren M., David T. Moore, Sanjini U. Nanayakkara, Shyam S. Dwaraknath, Philip Schulz, Jake Wands, Angus Rockett, Brian Newell, Kristin A. Persson, Susan Trolier-McKinstry, and David S. Ginley."The existence and impact of persistent ferroelectric domains in MAPbI 3."Science Advances
5.1 (2019) eaas9311. DOI
2018
Woods-Robinson, Rachel, Danny Broberg, Alireza Faghaninia, Anubhav Jain, Shyam S. Dwaraknath, and Kristin A. Persson."Assessing High-Throughput Descriptors for Prediction of Transparent Conductors."Chemistry of Materials
30.22 (2018) 8375 - 8389. DOI
Ye, Weike, Chi Chen, Shyam S. Dwaraknath, Anubhav Jain, Shyue Ping Ong, and Kristin A. Persson."Harnessing the Materials Project for machine-learning and accelerated discoveryAbstract."MRS Bulletin
43.9 (2018) 664 - 669. DOI
Latimer, Katherine, Shyam S. Dwaraknath, Kiran Mathew, Donald Winston, and Kristin A. Persson."Evaluation of thermodynamic equations of state across chemistry and structure in the materials project."npj Computational Materials
4.1 (2018). DOI
Tabor, Daniel P., Loïc M. Roch, Semion K. Saikin, Christoph Kreisbeck, Dennis Sheberla, Joseph H. Montoya, Shyam S. Dwaraknath, Muratahan Aykol, Carlos Ortiz, Hermann Tribukait, Carlos Amador-Bedolla, Christoph J. Brabec, Benji Maruyama, Kristin A. Persson, and Alán Aspuru-Guzik."Accelerating the discovery of materials for clean energy in the era of smart automation."Nature Reviews Materials
3.5 (2018) 5 - 20. DOI
Petretto, Guido, Shyam S. Dwaraknath, Henrique P.C. Miranda, Donald Winston, Matteo Giantomassi, Michiel J. van Setten, Xavier Gonze, Kristin A. Persson, Geoffroy Hautier, and Gian-Marco Rignanese."High-throughput density-functional perturbation theory phonons for inorganic materials."Scientific Data
5 (2018) 180065. DOI
Garten, Lauren M., Shyam S. Dwaraknath, Julian Walker, John S. Mangum, Paul F. Ndione, Yoonsang Park, Daniel A. Beaton, Venkatraman Gopalan, Brian P. Gorman, Laura T. Schelhas, Michael F. Toney, SusanTrolier ‐McKinstry, Kristin A. Persson, and David S. Ginley."Theory‐Guided Synthesis of a Metastable Lead‐Free Piezoelectric Polymorph."Advanced Materials
30.25 (2018) 1800559. DOI
Aykol, Muratahan, Shyam S. Dwaraknath, Wenhao Sun, and Kristin A. Persson."Thermodynamic limit for synthesis of metastable inorganic materials."Science Advances
4.4 (2018) eaaq0148. DOI
2017
Mathew, Kiran, Joseph H. Montoya, Alireza Faghaninia, Shyam S. Dwaraknath, Muratahan Aykol, Hanmei Tang, Iek-heng Chu, Tess Smidt, Brandon Bocklund, Matthew Horton, John Dagdelen, Brandon Wood, Zi-Kui Liu, Jeffrey B. Neaton, Shyue Ping Ong, Kristin A. Persson, and Anubhav Jain."Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows."Computational Materials Science
139 (2017) 140 - 152. DOI
2016
Ding, Hong, Shyam S. Dwaraknath, Lauren Garten, Paul Ndione, David Ginley, and Kristin A. Persson."Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection."ACS Applied Materials & Interfaces
8.20 (2016) 13086 - 13093. DOI