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Journal Article

Choudhury D., Venimadhav A., Kakarla C., Delaney KT. 2010. Unusual dielectric response in B-site size-disordered hexagonal transition-metal oxides. Appl. Phys. Lett.. 96:162903.

Stock P, Monroe JI, Utzig T, Smith DJ, M Shell S, Valtiner M. 2017. Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics Simulations. ACS nano. 11:2586–2597.

Natarajan ARaju, Van der Ven A. 2017. A unified description of ordering in HCP Mg-RE alloys. Acta Materialia. 124:620–632.

Bousquet E, Spaldin NA, Delaney KT. 2010. Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity. Phys. Rev. Lett.. 106:107202.

Gunda NSHarsha, Van der Ven A. 2020. Understanding the interactions between interstitial and substitutional solutes in refractory alloys: The case of Ti-Al-O. Acta Materialia.

Kaufman JL, Vinckeviči\=ut\.e J, Kolli SKrishna, Goiri JGabriel, Van der Ven A. 2019. Understanding intercalation compounds for sodium-ion batteries and beyond. Philosophical Transactions of the Royal Society A. 377:20190020.

Garcia ES, Tague CL, Choate JS. 2016. Uncertainty in carbon allocation strategy and ecophysiological parameterization influences on carbon and streamflow estimates for two western US forested watersheds. Ecological Modelling. 342:19-33.

Emery B, Washburn L. 2019. Uncertainty Estimates for SeaSonde HF Radar Ocean Current Observations. Journal of Atmospheric and Oceanic Technology. 36:231–247.

Lewi T, Evans HA, Butakov NA, Schuller JA. 2017. Ultrawide Thermo-Optic Tuning of PbTe Meta-atoms. Nano Letters.

Lewi T, Evans HA, Butakov NA, Schuller JA. 2017. Ultrawide thermo-optic tuning of PbTe meta-atoms. Nano letters. 17:3940–3945.

Iyer PP, Pendharkar M, Palmstrøm CJ, Schuller JA. 2017. Ultrawide thermal free-carrier tuning of dielectric antennas coupled to epsilon-near-zero substrates. Nature communications. 8:472.

Yue S-Y, Xu T, Liao B. 2018. Ultralow thermal conductivity in a two-dimensional material due to surface-enhanced resonant bonding. Materials Today Physics. 7:89–95.

Chavoshi SZare, Xu S. 2018. Twinning effects in the single/nanocrystalline cubic silicon carbide subjected to nanoindentation loading. Materialia. 3:304–325.

Bjaalie L, Janotti A, Himmetoglu B, Van de Walle CG. 2014. Turning SrTiO 3 into a Mott insulator. Physical Review B. 90:195117.

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.

Phan H, Kelly TJ, Zhugayevych A, Bazan GC, Nguyen T-Q, Jarvis EA, Tretiak S. 2019. Tuning Optical Properties of Conjugated Molecules by Lewis Acids: Insights from Electronic Structure Modeling. The journal of physical chemistry letters.

Sun K, Chiu C-K, Hung H-H, Wu J. 2014. Tuning between singlet, triplet, and mixed pairing states in an extended Hubbard chain. Phys. Rev. B. 89:104519.

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

Evans HA, Lehner AJ, Labram JG, Fabini DH, Barreda O, Smock SR, Wu G, Chabinyc ML, Seshadri R, Wudl F. 2016. (TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures. Chemistry of Materials. 28:3607-3611.

Carilli MF, Delaney KT, Fredrickson GH. 2015. Truncation-based energy weighting string method for efficiently resolving small energy barriers.. Journal of Chemical Physics. 143(5):054105.

Levine ZA, Fischer SA, Shea J-E, Pfaendtner J. 2015. Trp-Cage Folding on Organic Surfaces. The Journal of Physical Chemistry B. 119:10417–10425.

Miao M-S, Kurzman JA, Mammen N, Narasimhan S, Seshadri R. 2012. Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis. Inorg. Chem.. 51:7569.

Himmetoglu B. 2016. Tree based machine learning framework for predicting ground state energies of molecules. Journal of Chemical Physics. 145(13):9.

Himmetoglu B, Janotti A. 2016. Transport properties of KTaO3 from first-principles. Journal of Physics: Condensed Matter. 28:065502.

Mullen RGotchy, Shea J-E, Peters B. 2014. Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.

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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.