A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis von McDermott, Matthew J., Dwaraknath, Shyam S., Persson, Kristin A.

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Thermodynamic limit for synthesis of metastable inorganic materials von Aykol, Muratahan, Dwaraknath, Shyam S, Sun, Wenhao, Persson, Kristin A

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Assessing High-Throughput Descriptors for Prediction of Transparent Conductors von Woods-Robinson, Rachel, Broberg, Danny, Faghaninia, Alireza, Jain, Anubhav, Dwaraknath, Shyam S, Persson, Kristin A

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Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection von Ding, Hong, Dwaraknath, Shyam S, Garten, Lauren, Ndione, Paul, Ginley, David, Persson, Kristin A

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Origin of Disorder Tolerance in Piezoelectric Materials and Design of Polar Systems von Ling, Handong, Dwaraknath, Shyam S, Persson, Kristin A

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Selectivity in Yttrium Manganese Oxide Synthesis via Local Chemical Potentials in Hyperdimensional Phase Space von Todd, Paul K, McDermott, Matthew J, Rom, Christopher L, Corrao, Adam A, Denney, Jonathan J, Dwaraknath, Shyam S, Khalifah, Peter G, Persson, Kristin A, Neilson, James R

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Lowering Ternary Oxide Synthesis Temperatures by Solid-State Cometathesis Reactions von Wustrow, Allison, Huang, Guanglong, McDermott, Matthew J, O’Nolan, Daniel, Liu, Chia-Hao, Tran, Gia Thinh, McBride, Brennan C, Dwaraknath, Shyam S, Chapman, Karena W, Billinge, Simon J. L, Persson, Kristin A, Thornton, Katsuyo, Neilson, James R

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Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO3 Polymorphs von Todd, Paul K, Wustrow, Allison, McAuliffe, Rebecca D, McDermott, Matthew J, Tran, Gia Thinh, McBride, Brennan C, Boeding, Ethan D, O’Nolan, Daniel, Liu, Chia-Hao, Dwaraknath, Shyam S, Chapman, Karena W, Billinge, Simon J. L, Persson, Kristin A, Huq, Ashfia, Veith, Gabriel M, Neilson, James R

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Assessing High-Throughput Descriptors for Prediction of Transparent Conductors von Woods-Robinson, Rachel, Broberg, Danny, Faghaninia, Alireza, Jain, Anubhav, Dwaraknath, Shyam S., Persson, Kristin A.

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Reaction Selectivity in Cometathesis: Yttrium Manganese Oxides von Wustrow, Allison, McDermott, Matthew J., O’Nolan, Daniel, Liu, Chia-Hao, Tran, Gia Thinh, McBride, Brennan C., Vornholt, Simon M., Feng, Chao, Dwaraknath, Shyam S., Chapman, Karena W., Billinge, Simon J. L., Sun, Wenhao, Persson, Kristin A., Neilson, James R.

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Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO 3 Polymorphs von Todd, Paul K., Wustrow, Allison, McAuliffe, Rebecca D., McDermott, Matthew J., Tran, Gia Thinh, McBride, Brennan C., Boeding, Ethan D., O’Nolan, Daniel, Liu, Chia-Hao, Dwaraknath, Shyam S., Chapman, Karena W., Billinge, Simon J. L., Persson, Kristin A., Huq, Ashfia, Veith, Gabriel M., Neilson, James R.

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Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection von Ding, Hong, Dwaraknath, Shyam S., Garten, Lauren, Ndione, Paul, Ginley, David, Persson, Kristin A.

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Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection von Ding, Hong, Dwaraknath, Shyam S., Garten, Lauren, Ndione, Paul, Ginley, David, Persson, Kristin A.

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Selectivity in yttrium manganese oxide synthesis via local chemical potentials in hyperdimensional phase space von Todd, Paul K, McDermott, Matthew J, Rom, Christopher L, Corrao, Adam A, Denney, Jonathan J, Dwaraknath, Shyam S, Khalifah, Peter G, Persson, Kristin A, Neilson, James R

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Selectivity in yttrium manganese oxide synthesis via local chemical potentials in hyperdimensional phase space von Todd, Paul K, McDermott, Matthew J, Rom, Christopher L, Corrao, Adam A, Denney, Jonathan J, Dwaraknath, Shyam S, Khalifah, Peter G, Persson, Kristin A, Neilson, James R

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

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Rapid generation of optimal generalized Monkhorst-Pack grids von Wang, Yunzhe, Wisesa, Pandu, Balasubramanian, Adarsh, Dwaraknath, Shyam, Mueller, Tim

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Accelerating the discovery of materials for clean energy in the era of smart automation von Tabor, Daniel P., Roch, Loïc M., Saikin, Semion K., Kreisbeck, Christoph, Sheberla, Dennis, Montoya, Joseph H., Dwaraknath, Shyam, Aykol, Muratahan, Ortiz, Carlos, Tribukait, Hermann, Amador-Bedolla, Carlos, Brabec, Christoph J., Maruyama, Benji, Persson, Kristin A., Aspuru-Guzik, Alán

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

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High-throughput density-functional perturbation theory phonons for inorganic materials von Petretto, Guido, Dwaraknath, Shyam, P.C. Miranda, Henrique, Winston, Donald, Giantomassi, Matteo, van Setten, Michiel J., Gonze, Xavier, Persson, Kristin A., Hautier, Geoffroy, Rignanese, Gian-Marco

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