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2018

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.

Hateley JC, Chai L, Tong P, Yang X. 2018. Frozen Gaussian approximation for 3-D elastic wave equation and seismic tomography. Geophysical Journal International. 216:1394–1412.

Chai L, Tong P, Yang X. 2018. Frozen Gaussian approximation for 3D seismic tomography. Inverse Problems. 34:055004.

Yang P-L, Marek-Sadowska M. 2018. High-Performance Architecture Using Fast Dynamic Reconfigurable Accelerators. IEEE Transactions on Very Large Scale Integration (VLSI) Systems. 26(7)

Boldissar S, De Vries MS. 2018. How nature covers its bases. Physical Chemistry Chemical Physics. 20:9701–9716.

Evans HA, Fabini DH, Andrews JL, Koerner M, Preefer MB, Wu G, Wudl F, Cheetham AK, Seshadri R. 2018. Hydrogen Bonding Controls the Structural Evolution in Perovskite-Related Hybrid Platinum (IV) Iodides. Inorganic chemistry. 57:10375–10382.

Wang W, Peelaers H, Shen J-X, Janotti A, Van de Walle CG. 2018. Impact of point defects on electrochromism in WO 3. Oxide-based Materials and Devices IX.

Joswiak MN, Peters B, Doherty MF. 2018. In Silico Crystal Growth Rate Prediction for NaCl from Aqueous Solution. Crystal Growth & Design. 18:6302–6306.

Joswiak MN, Doherty MF, Peters B. 2018. Ion dissolution mechanism and kinetics at kink sites on NaCl surfaces. Proceedings of the National Academy of Sciences. :201713452.

Tree DR, Iwama T, Delaney KT, Lee J, Fredrickson GH. 2018. Marangoni Flows during Nonsolvent Induced Phase Separation. ACS Macro Letters. 7:582–586.

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.

Xu S. 2018. MODELING PLASTIC DEFORMATION OF NANO/SUBMICRON-SIZED TUNGSTEN PILLARS UNDER COMPRESSION: A COARSE-GRAINED ATOMISTIC APPROACH. International Journal for Multiscale Computational Engineering. 16

Chavoshi SZare, Xu S. 2018. Nanoindentation/scratching at finite temperatures: Insights from atomistic-based modeling. Progress in Materials Science.

Smith D.J, Leal L.G, Mitragotri S., Shell M.S. 2018. Nanoparticle transport across model cellular membranes: when do solubility-diffusion models break down? Journal of Physics D: Applied Physics. 51(29):1-15.

Weston L., Wikramaratne D., Alkauskas A., Van de Walle C.G. 2018. Native point defects and impurities in hexagonal boron nitride. Physical Review B. (97):1-13.

Bhat S, Rouskas GN. 2018. Open Marketplace and Service Orchestration for Virtual Optical Networks.

Weston L, Bjaalie L, Krishnaswamy K, Van de Walle CG. 2018. Origins of n-type doping difficulties in perovskite stannates. Physical Review B. 97:054112.

Van de Walle CG. 2018. PCCP. Phys. Chem. Chem. Phys. 20:12373–12380.

Swift MW, Van de Walle C.G, Fisher MPA. 2018. Posner molecules: from atomic structure to nuclear spins. Physical Chemistry Chemical Physics. (20):12373-12380.

Yan L., Ravasio R., Brito C., Wyart M. 2018. Principles for Optimal Cooperativity in Allosteric Materials. Biophysical Journal. 114(12):2787-2798.

Clayton JA, Keller K, Qi M, Wegner J, Koch V, Hintz H, Godt A, Han S, Jeschke G, Sherwin MS et al.. 2018. Quantitative analysis of zero-field splitting parameter distributions in Gd (iii) complexes. Physical Chemistry Chemical Physics. 20:10470–10492.

Li Y, Chen X, Fisher MPA. 2018. Quantum Zeno effect and the many-body entanglement transition. Physical Review B. 98:205136.

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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.