Computational prediction of two-dimensional group-IV mono-chalcogenides von Singh, Arunima K., Hennig, Richard G.

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Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials von Blonsky, Michael N, Zhuang, Houlong L, Singh, Arunima K, Hennig, Richard G

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Computational Screening of 2D Materials for Photocatalysis von Singh, Arunima K, Mathew, Kiran, Zhuang, Houlong L, Hennig, Richard G

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Computational discovery of single-layer III-V materials von Zhuang, Houlong L., Singh, Arunima K., Hennig, Richard G.

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Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery von Singh, Arunima K., Montoya, Joseph H., Gregoire, John M., Persson, Kristin A.

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Electrochemical Stability of Metastable Materials von Singh, Arunima K, Zhou, Lan, Shinde, Aniketa, Suram, Santosh K, Montoya, Joseph H, Winston, Donald, Gregoire, John M, Persson, Kristin A

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Characterization of Few-Layer 1T′ MoTe2 by Polarization-Resolved Second Harmonic Generation and Raman Scattering von Beams, Ryan, Cançado, Luiz Gustavo, Krylyuk, Sergiy, Kalish, Irina, Kalanyan, Berç, Singh, Arunima K, Choudhary, Kamal, Bruma, Alina, Vora, Patrick M, Tavazza, Francesca, Davydov, Albert V, Stranick, Stephan J

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Ab initio-based metric for predicting the protectiveness of surface films in aqueous media von Gorelik, Rachel, Singh, Arunima K.

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van der Waals Epitaxial Growth of Graphene on Sapphire by Chemical Vapor Deposition without a Metal Catalyst von Hwang, Jeonghyun, Kim, Moonkyung, Campbell, Dorr, Alsalman, Hussain A, Kwak, Joon Young, Shivaraman, Shriram, Woll, Arthur R, Singh, Arunima K, Hennig, Richard G, Gorantla, Sandeep, Rümmeli, Mark H, Spencer, Michael G

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Excitonic effects in absorption spectra of carbon dioxide reduction photocatalysts von Biswas, Tathagata, Singh, Arunima K.

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Ab Initio Prediction of Ultra‐Wide Band Gap BxAl1−xN Materials von Milne, Cody, Biswas, Tathagata, Singh, Arunima K.

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Al2O3 as a suitable substrate and a dielectric layer for n -layer MoS2 von Singh, Arunima K., Hennig, Richard G., Davydov, Albert V., Tavazza, Francesca

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Scaling relation for thermal ripples in single and multilayer graphene von Singh, Arunima K., Hennig, Richard G.

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Robust and synthesizable photocatalysts for CO 2 reduction: a data-driven materials discovery von Singh, Arunima K, Montoya, Joseph H, Gregoire, John M, Persson, Kristin A

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Data-Driven Discovery of Robust Materials for Photocatalytic Energy Conversion von Singh, Arunima K, Gorelik, Rachel, Biswas, Tathagata

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Ab initio synthesis of single-layer III-V materials von Singh, Arunima K., Zhuang, Houlong L., Hennig, Richard G.

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pyGWBSE: a high throughput workflow package for GW-BSE calculations von Biswas, Tathagata, Singh, Arunima K.

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MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems von Mathew, Kiran, Singh, Arunima K., Gabriel, Joshua J., Choudhary, Kamal, Sinnott, Susan B., Davydov, Albert V., Tavazza, Francesca, Hennig, Richard G.

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Computational synthesis of single-layer GaN on refractory materials von Singh, Arunima K., Hennig, Richard G.

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Atomic-Resolution Mapping of Localized Phonon Modes at Grain Boundaries von Haas, Benedikt, Boland, Tara M., Elsässer, Christian, Singh, Arunima K., March, Katia, Barthel, Juri, Koch, Christoph T., Rez, Peter

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