Publications
Publications by Category
2020
Sivonxay, Eric, Muratahan Aykol, and Kristin A Persson."The lithiation process and Li diffusion in amorphous."Electrochimica Acta
331 (2020) 135344. DOI
2018
Bassman, Lindsay, Pankaj Rajak, Rajiv K Kalia, Nakano Aiichiro, Sha Fei, Jifeng Sun, David J Singh, Muratahan Aykol, Patrick Huck, Kristin A Persson, and Priya Vashishta."Active learning for accelerated design of layered materials."npj Computational Materials
4.1 (2018). DOI
Shin, Yongwoo, Wang Hay Kan, Muratahan Aykol, Joseph K Papp, Bryan D McCloskey, Guoying Chen, and Kristin A Persson."Alleviating oxygen evolution from Li-excess oxide materials through theory-guided surface protection."Nature Communications
9.1 (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
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
Bassman, Lindsay, Pankaj Rajak, Rajiv K Kalia, Aiichiro Nakano, Fei Sha, Muratahan Aykol, Patrick Huck, Kristin A Persson, Jifeng Sun, David J Singh, and Priya Vashishta."Efficient Discovery of Optimal N -Layered TMDC Hetero-StructuresABSTRACT."MRS Advances
3.6-7 (2018) 397 - 402. DOI
Aykol, Muratahan, and Kristin A Persson."Oxidation Protection with Amorphous Surface Oxides: Thermodynamic Insights from Ab Initio Simulations on Aluminum."ACS Applied Materials & Interfaces
10.3 (2018) 3039 - 3045. 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