Publications

Journal Article
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.
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.
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.
Ivanovskaya A, Singh N, Liu R-F, Kreutzer H, Baltrusaitis J, Van Nguyen T, Metiu H, McFarland E.  2013.  Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis. Langmuir. 29:480.
Johnson KM, Hofmann GE.  2016.  A transcriptome resource for the Antarctic pteropod Limacina helicina antarctica. Marine Genomics. 28:25-28.
Shaw JH, Rajan VP, Blacklock M, Zok FW.  2014.  Towards Virtual Testing of Textile Composites: Calibration of Thermoelastic Tow Properties. Journal of the American Ceramic Society. 97:1209–1217.
Lesshafft L, Meiburg E, Kneller B, Marsden A.  2011.  Towards inverse modeling of turbidity currents: the inverse lock-exchange problem. Computers & Geosciences. 37(4):521–529.

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