Publications

CSC research acknowledged in publications and presentations.

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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 2308708) at UC Santa Barbara.

Selected Publications

2014

A Coarse-Grained Model for Peptide Aggregation on a Membrane Surface
Morriss-Andrews, A., Brown, F. L. H., & Shea, J. -E. (2014). A Coarse-Grained Model for Peptide Aggregation on a Membrane Surface. The Journal Of Physical Chemistry B.
Coherent states formulation of polymer field theory
Man, X., Delaney, K. T., Villet, M. C., Orland, H., & Fredrickson, G. H. (2014). Coherent states formulation of polymer field theory. The Journal Of Chemical Physics, 140, 024905.
Communication: An existence test for dividing surfaces without recrossing
Mullen, R. G., Shea, J. -E., & Peters, B. (2014). Communication: An existence test for dividing surfaces without recrossing. The Journal Of Chemical Physics, 140, 041104.
Compressive response of pyramidal lattices embedded in foams
Hammetter, C. I., & Zok, F. W. (2014). Compressive response of pyramidal lattices embedded in foams. Journal Of Applied Mechanics, 81, 011006.
Computational studies of shape rectification in directed self-assembly
Iwama, T., Laachi, N., Delaney, K. T., Kim, B. J., & Fredrickson, G. H. (2014). Computational studies of shape rectification in directed self-assembly (D. J. Resnick & Bencher, C., Eds.). San Francisco, CA: International Society for Optics and Photonics. https://doi.org/10.1117/12.2046187 (Original work published 03/2014 C.E.)
Connecting microstructural coarsening processes to electrochemical performance in solid oxide fuel cells: An integrated modeling approach
Abdeljawad, F., Völker, B., Davis, R., McMeeking, R. M., & Haataja, M. (2014). Connecting microstructural coarsening processes to electrochemical performance in solid oxide fuel cells: An integrated modeling approach. Journal Of Power Sources, 250, 319\textendash331.
Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in Sr x Ba2\textendashx SiO4: Eu2+ Orthosilicate Phosphors
Denault, K. A., Brgoch, J., Gaultois, M. W., Mikhailovsky, A., Petry, R., Winkler, H., et al. (2014). Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in Sr x Ba2\textendashx SiO4: Eu2+ Orthosilicate Phosphors. Chemistry Of Materials, 26, 2275\textendash2282.
Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide-Insulin Interactions
Susa, A. C., Wu, C., Bernstein, S. L., Dupuis, N. F., Wang, H., Raleigh, D. P., et al. (2014). Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide-Insulin Interactions. Journal Of The American Chemical Society.
Design and Properties of Intermediate-Sized Narrow Band-Gap Conjugated Molecules Relevant to Solution-Processed Organic Solar Cells
Liu, X., Sun, Y., Hsu, B. B. Y., Lorbach, A., Qi, L., Heeger, A. J., & Bazan, G. C. (2014). Design and Properties of Intermediate-Sized Narrow Band-Gap Conjugated Molecules Relevant to Solution-Processed Organic Solar Cells. Journal Of The American Chemical Society, 136, 5697\textendash5708.
Designing pyramidal lattice structures for energy absorption
Hammetter, C. I. (2014). Designing pyramidal lattice structures for energy absorption.
Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations
Levine, Z. A., Venable, R. M., Watson, M. C., Lerner, M. G., Shea, J. -E., Pastor, R. W., & Brown, F. L. H. (2014). Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations. Journal Of The American Chemical Society, 136, 13582\textendash13585.
Dinitrosyl Iron Complexes with Cysteine. Kinetics Studies of the Formation and Reactions of DNICs in Aqueous Solution
Pereira, J. \ e C. M., Iretskii, A., Han, R. -M., & Ford, P. C. (2014). Dinitrosyl Iron Complexes with Cysteine. Kinetics Studies of the Formation and Reactions of DNICs in Aqueous Solution. Journal Of The American Chemical Society.
Ecohydrologic Modeling in Three Western U.S. Mountain Watersheds: Implications of Climate, Soil, and Carbon Cycling Interactions for Streamflow
Garcia, E. S. (2014). Ecohydrologic Modeling in Three Western U.S. Mountain Watersheds: Implications of Climate, Soil, and Carbon Cycling Interactions for Streamflow. Santa Barbara.
Effects of carbon on the electrical and optical properties of InN, GaN, and AlN
Lyons, J. L., Janotti, A., & Van de Walle, C. G. (2014). Effects of carbon on the electrical and optical properties of InN, GaN, and AlN. Physical Review B, 89, 035204.
Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors
Lyons, J. L., Janotti, A., & Van de Walle, C. G. (2014). Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors. Journal Of Applied Physics, 115, 012014.
Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes
McBride, P. M., Yan, Q., & Van de Walle, C. G. (2014). Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes. Applied Physics Letters, 105, 083507.
Effects of short-ranged interactions on the Kane-Mele model without discrete particle-hole symmetry
Lai, H. -H., & Hung, H. -H. (2014). Effects of short-ranged interactions on the Kane-Mele model without discrete particle-hole symmetry. Physical Review B, 89, 165135.
Effects of strain on the band structure of group-III nitrides
Yan, Q., Rinke, P., Janotti, A., Scheffler, M., & Van de Walle, C. G. (2014). Effects of strain on the band structure of group-III nitrides. Physical Review B, 90, 125118.
Efficient field-theoretic simulation of polymer solutions
Villet, M. C., & Fredrickson, G. H. (2014). Efficient field-theoretic simulation of polymer solutions. The Journal Of Chemical Physics, 141, 224115.
An elastic\textendashplastic constitutive model for ceramic composite laminates
Rajan, V. P., Shaw, J. H., Rossol, M. N., & Zok, F. W. (2014). An elastic\textendashplastic constitutive model for ceramic composite laminates. Composites Part A: Applied Science And Manufacturing, 66, 44\textendash57.