Publications
Publications by Category
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