Publications
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X Author: Mark D. Asta
2019
Cai, Yao, Wei Xie, Yin Ting Teng, P.C. Harikesh, Biplab Ghosh, Patrick Huck, Kristin A. Persson, Nripan Mathews, Subodh G. Mhaisalkar, Matthew Sherburne, and Mark D. Asta."High-throughput Computational Study of Halide Double Perovskite Inorganic Compounds."Chemistry of Materials
(2019). DOI
2016
de Jong, Maarten, Wei Chen, Randy Notestine, Kristin A. Persson, Gerbrand Ceder, Anubhav Jain, Mark D. Asta, and Anthony C. Gamst."A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds."Scientific Reports
6.1 (2016). DOI
2015
Zhu, Hong, Geoffroy Hautier, Umut Aydemir, Zachary M. Gibbs, Guodong Li, Saurabh Bajaj, Jan-Hendrik Pöhls, Danny Broberg, Wei Chen, Anubhav Jain, Mary Anne White, Mark D. Asta, G. Jeffrey Snyder, Kristin A. Persson, and Gerbrand Ceder."Computational and experimental investigation of TmAgTe 2 and XYZ 2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening."Journal of Materials Chemistry C
3.40 (2015) 10554 - 10565. DOI
de Jong, Maarten, Wei Chen, Henry Geerlings, Mark D. Asta, and Kristin A. Persson."A database to enable discovery and design of piezoelectric materials."Scientific Data
2.1 (2015). DOI
de Jong, Maarten, Wei Chen, Thomas Angsten, Anubhav Jain, Randy Notestine, Anthony C. Gamst, Marcel Sluiter, Chaitanya Krishna Ande, Sybrand van der Zwaag, Jose J. Plata, Cormac Toher, Stefano Curtarolo, Gerbrand Ceder, Kristin A. Persson, and Mark D. Asta."Charting the complete elastic properties of inorganic crystalline compounds."Scientific Data
2 (2015). DOI
Ding, Hong, Bharat Medasani, Wei Chen, Kristin A. Persson, Maciej Haranczyk, and Mark D. Asta."PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds."Computer Physics Communications
193 (2015) 118-123. DOI
2014
Markus, , Isaac M., Feng Lin, Kinson C. Kam, Mark D. Asta, and Marca M. Doeff."Computational and Experimental Investigation of Ti Substitution in Li1(NixMnxCo1-x-yTiy)O2 for Lithium-Ion Batteries."The Journal of Physical Chemistry Letters
5 (2014) 3649-3655. DOI