High-throughput computational design of organic-inorganic hybrid halide semiconductors beyond perovskites for optoelectronics von Li, Yuheng, Yang, Kesong

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Enhancing interfacial conductivity and spatial charge confinement of LaAlO3/SrTiO3 heterostructures via strain engineering von Nazir, Safdar, Behtash, Maziar, Yang, Kesong

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A RESTful API for exchanging materials data in the AFLOWLIB.org consortium von Taylor, Richard H., Rose, Frisco, Toher, Cormac, Levy, Ohad, Yang, Kesong, Buongiorno Nardelli, Marco, Curtarolo, Stefano

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2D Hybrid Halide Perovskites: Synthesis, Properties, and Applications von Wong, Joseph, Yang, Kesong

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High-throughput design of perpendicular magnetic anisotropy at quaternary Heusler and MgO interfaces von Jiang, Sicong, Yang, Kesong

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AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations von Curtarolo, Stefano, Setyawan, Wahyu, Wang, Shidong, Xue, Junkai, Yang, Kesong, Taylor, Richard H., Nelson, Lance J., Hart, Gus L.W., Sanvito, Stefano, Buongiorno-Nardelli, Marco, Mingo, Natalio, Levy, Ohad

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AFLOW: An automatic framework for high-throughput materials discovery von Curtarolo, Stefano, Setyawan, Wahyu, Hart, Gus L.W., Jahnatek, Michal, Chepulskii, Roman V., Taylor, Richard H., Wang, Shidong, Xue, Junkai, Yang, Kesong, Levy, Ohad, Mehl, Michael J., Stokes, Harold T., Demchenko, Denis O., Morgan, Dane

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Density Functional Characterization of the Visible-Light Absorption in Substitutional C-Anion- and C-Cation-Doped TiO2 von Yang, Kesong, Dai, Ying, Huang, Baibiao, Whangbo, Myung-Hwan

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Electronic structures and formation energies of pentavalent-ion-doped SnO2: First-principles hybrid functional calculations von Behtash, Maziar, Joo, Paul H., Nazir, Safdar, Yang, Kesong

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Preparation, electronic structure, and photocatalytic properties of Bi2O2CO3 nanosheet von Liu, Yuanyuan, Wang, Zeyan, Huang, Baibiao, Yang, Kesong, Zhang, Xiaoyang, Qin, Xiaoyan, Dai, Ying

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Density Functional Characterization of the Visible-Light Absorption in Substitutional C-Anion- and C-Cation-Doped TiO 2 von Yang, Kesong, Dai, Ying, Huang, Baibiao, Whangbo, Myung-Hwan

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Theoretical Study of N-Doped TiO2 Rutile Crystals von Yang, Kesong, Dai, Ying, Huang, Baibiao, Han, Shenghao

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Review of high-throughput computational design of Heusler alloys von Jiang, Sicong, Yang, Kesong

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High-mobility two-dimensional electron gas in SrGeO3- and BaSnO3-based perovskite oxide heterostructures: an ab initio study von Wang, Yaqin, Tang, Wu, Cheng, Jianli, Nazir, Safdar, Yang, Kesong

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On the possibility of ferromagnetism in carbon-doped anatase TiO2 von Yang, Kesong, Dai, Ying, Huang, Baibiao, Whangbo, Myung-Hwan

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Review of First-Principles Studies of TiO2: Nanocluster, Bulk, and Material Interface von Yang, Kesong, Dai, Ying, Huang, Baibiao

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Density Functional Characterization of the Band Edges, the Band Gap States, and the Preferred Doping Sites of Halogen-Doped TiO2 von Yang, Kesong, Dai, Ying, Huang, Baibiao, Whangbo, Myung-Hwan

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Fractional-unit-cell-doped spinel/perovskite oxide interfaces with switchable carrier conduction von Gan, Yulin, Zhang, Yu, Jiang, Sicong, Zhang, Hongrui, Guan, Xiangxiang, Yan, Lei, Hu, Fengxia, Yu, Richeng, Sun, Jirong, Ding, Hong, Yang, Kesong, Chen, Yunzhong, Shen, Baogen

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First-Principles Study of Strain Effects on the Perpendicular Magnetic Anisotropy of Fe/MgO Heterostructures von Nazir, Safdar, Jiang, Sicong, Yang, Kesong

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Towards enhancing two-dimensional electron gas quantum confinement effects in perovskite oxide heterostructures von Nazir, Safdar, Behtash, Maziar, Yang, Kesong

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