Publications

Search

Show only items where

Author

Type

Term

Year

Keyword

2017

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.

Lyons JL, Alkauskas A, Janotti A, Van de Walle CG. 2017. Deep donor state of the copper acceptor as a source of green luminescence in ZnO. Applied Physics Letters. 111:042101.

Huang D, Pintus P, Zhang C, Morton P, Shoji Y, Mizumoto T, Bowers JE. 2017. Dynamically reconfigurable integrated optical circulators. Optica. 4:23–30.

Yan L, Bouchaud J-P, Wyart M. 2017. Edge mode amplification in disordered elastic networks. Soft matter. 13:5795–5801.

Kang Y, Van de Walle CG. 2017. Electrical compensation mechanism in fluorine-doped SnO2. Applied Physics Letters. 111:152107.

Zhu Z, Peelaers H, Van de Walle CG. 2017. Electronic and protonic conduction in LaFeO 3. Journal of Materials Chemistry A.

Siouri FM, Boldissar S, Berenbeim J, De Vries MS. 2017. Excited State Dynamics of 6-Thioguanine. The Journal of Physical Chemistry A.

Berenbeim JA, Boldissar S, Siouri FM, Gate G, Haggmark MR, Aboulache B, Cohen T, De Vries MS. 2017. Excited-State Dynamics of Isocytosine: A Hybrid Case of Canonical Nucleobase Photodynamics. The Journal of Physical Chemistry Letters. 8:5184–5189.

Thomas JC, Van der Ven A. 2017. The exploration of nonlinear elasticity and its efficient parameterization for crystalline materials. Journal of the Mechanics and Physics of Solids. 107:76–95.

Kirchhofer ND, Rengert ZD, Dahlquist FW, Nguyen T-Q, Bazan GC. 2017. A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration. Chem. 2:240–257.

Krishnaswamy K, Himmetoglu B, Kang Y, Janotti A, Van de Walle CG. 2017. First-principles analysis of electron transport in BaSnO 3. Physical Review B. 95:205202.

Lyons JL, Varley JB, Steiauf D, Janotti A, Van de Walle CG. 2017. First-principles characterization of native-defect-related optical transitions in ZnO. Journal of Applied Physics. 122:035704.

Natarajan ARaju, Van der Ven A. 2017. First-principles investigation of phase stability in the Mg-Sc binary alloy. Physical Review B. 95:214107.

Su GM, Patel SN, Pemmaraju CD, Prendergast D, Chabinyc ML. 2017. First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers. The Journal of Physical Chemistry C. 121:9142–9152.

Pages

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.