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Journal Article

Misch LM, Brgoch J, Birkel A, Mates TE, Stucky GD, Seshadri R. 2014. Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.

Corr SA, Shoemaker DP, Melot BC, Seshadri R. 2010. Real-Space Investigation of Structural Changes at the Metal-Insulator Transition in VO{\_}2. Physical Review Letters. 105:056404.

Shoemaker DP, Llobet A, Tachibana M, Seshadri R. 2011. Reverse Monte Carlo neutron scattering study of the’ordered-ice’oxide pyrochlore Pb2Ru2O6. Journal of Physics: Condensed Matter. 23(31):315404.

Lamontagne LK, Laurita G, Knight M, Yusuf H, Hu J, Seshadri R, Page K. 2017. The Role of Structural and Compositional Heterogeneities in the Insulator-to-Metal Transition in Hole-Doped APd3O4 (A= Ca, Sr). Inorganic Chemistry. 56:5158–5164.

Bocarsly JD, Levin EE, Garcia CAC, Schwennicke K, Wilson SD, Seshadri R. 2017. A Simple Computational Proxy for Screening Magnetocaloric Compounds. Chemistry of Materials. 29:1613–1622.

Miao M, Brgoch J, Krishnapriyan A, Goldman A, Kurzman JA, Seshadri R. 2013. On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic chemistry. 52:8183–8189.

Levin EE, Bocarsly JD, Grebenkemper JH, Issa R, Wilson SD, Pollock TM, Seshadri R. 2020. Structural coupling and magnetic tuning in Mn2- x Co x P magnetocalorics for thermomagnetic power generation. APL Materials. 8:041106.

Morgan EE, Mao L, Teicher SML, Wu G, Seshadri R. 2020. Tunable Perovskite-Derived Bismuth Halides: Cs3Bi2 (Cl1–x I x) 9. Inorganic Chemistry.

Levin EE, Bocarsly JD, Wyckoff KE, Pollock TM, Seshadri R. 2017. Tuning the magnetocaloric response in half-Heusler/Heusler MnNi 1+ x Sb solid solutions. Physical Review Materials. 1:075003.

Teicher SML, Svenningsson IK, Schoop LM, Seshadri R. 2019. Weyl nodes and magnetostructural instability in antiperovskite Mn3ZnC. APL Materials. 7:121104.

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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.