Publications

Export 644 results:
2018
Alexander GCB, Fabini DH, Seshadri R, Kanatzidis MG.  2018.  AuPb2I7: A Narrow Bandgap Au3+ Iodide Semiconductor. Inorganic chemistry.
Lyons JL, Varley JB, Janotti A, Van de Walle CG.  2018.  First-principles calculations of optical transitions at native defects and impurities in ZnO. Oxide-based Materials and Devices IX.
Wang W, Peelaers H, Shen J-X, Janotti A, Van de Walle CG.  2018.  First-principles characterization of defects in WO 3. Oxide-based Materials and Devices IX.
Kang Y, Peelaers H, Krishnaswamy K, Van de Walle CG.  2018.  First-principles study of direct and indirect optical absorption in BaSnO3. Applied Physics Letters. 112:062106.
Wang Y, Lei HUAN, Atzberger PJ.  2018.  Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. Applied Mathematics and Mechanics. 39:125–152.
Henske JK, Wilken SElmo, Solomon KV, Smallwood CR, Shutthanandan V, Evans JE, Theodorou MK, O'Malley MA.  2018.  Metabolic characterization of anaerobic fungi provides a path forward for bioprocessing of crude lignocellulose. Biotechnology and bioengineering.
Henske JK, Springer SD, O'Malley MA, Butler A.  2018.  Substrate-based differential expression analysis reveals control of biomass degrading enzymes in Pycnoporus cinnabarinus. Biochemical Engineering Journal. 130:83–89.
Frumkin JA, Doherty MF.  2018.  Target bounds on reaction selectivity via Feinberg's CFSTR equivalence principle. AIChE Journal. 64:926–939.
2017
de Almeida NEC, Do TD, LaPointe NE, Tro M, Feinstein SC, Shea J-E, Bowers MT.  2017.  1, 2, 3, 4, 6-penta-O-galloyl-$\beta$-d-glucopyranose binds to the N-terminal metal binding region to inhibit amyloid $\beta$-protein oligomer and fibril formation. International journal of mass spectrometry. 420:24–34.
Weston L, Janotti A, Cui XY, Stampfl C, Van de Walle CG.  2017.  Acceptor doping in the proton conductor SrZrO 3. Physical Chemistry Chemical Physics. 19:11485–11491.
Pressman A, Moretti JE, Campbell GW, Müller UF, Chen IA.  2017.  Analysis of in vitro evolution reveals the underlying distribution of catalytic activity among random sequences. Nucleic acids research.
Aue DBetowski D.  2017.  The Application of Computational Chemistry to Problems in Mass Spectrometry.
Yan L, Ravasio R, Brito C, Wyart M.  2017.  Architecture and coevolution of allosteric materials. Proceedings of the National Academy of Sciences. :201615536.
Souza MLima, DeMartino AW, Ford PC.  2017.  Biological Thiols and Carbon Disulfide: The Formation and Decay of Trithiocarbonates under Physiologically Relevant Conditions. ACS Omega. 2:6535–6543.
Griffy B.  2017.  Borrowing Constraints, Search, and Life-Cycle Inequality.
D Upham C, Agarwal V, Khechfe A, Snodgrass ZR, Gordon MJ, Metiu H, McFarland EW.  2017.  Catalytic molten metals for the direct conversion of methane to hydrogen and separable carbon. Science. 358:917–921.
DeMartini DG, Errico JM, Sjoestroem S, Fenster A, J Waite H.  2017.  A cohort of new adhesive proteins identified from transcriptomic analysis of mussel foot glands. Journal of The Royal Society Interface. 14:20170151.
Williams ST, Lockyer AE, Dyal P, Nakano T, Churchill CKC, Speiser DI.  2017.  Colorful seashells: Identification of haem pathway genes associated with the synthesis of porphyrin shell color in marine snails. Ecology and Evolution. 7:10379–10397.
Lyons JL, Van de Walle CG.  2017.  Computationally predicted energies and properties of defects in GaN. NPJ Computational Materials. 3:1.
Peelaers H, Chabinyc ML, Van de Walle CG.  2017.  Controlling n-Type Doping in MoO3. Chemistry of Materials. 29:2563–2567.
Coleman MSB.  2017.  Convection Affects Magnetic Turbulence in White Dwarf Accretion Disks.
Coleman MSB, Yerger E, Blaes O, Salvesen G, Hirose S.  2017.  Convective quenching of field reversals in accretion disc dynamos. Monthly Notices of the Royal Astronomical Society. 467:2625–2635.
Das T, Schuller JA.  2017.  Dark modes and field enhancements in dielectric dimers illuminated by cylindrical vector beams. Physical Review B. 95:201111.

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