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

2024

Nanoscale water—polymer interactions tune macroscopic diffusivity of water in aqueous poly (ethylene oxide) solutions
Moon, J., Webber, T., Brown, D. R., Richardson, P. M., Casey, T., Segalman, R. A., et al. (2024). Nanoscale water—polymer interactions tune macroscopic diffusivity of water in aqueous poly (ethylene oxide) solutions. Chemical Science, 15, 2495-2508.
Crystallization-Induced Flower-like Superstructures via Peptoid Helix Assembly
Yang, K. -C., Mirabal, D. M. R., Garcia, R., Vlahakis, N., Nguyen, P., Mengel, S., et al. (2024). Crystallization-Induced Flower-like Superstructures via Peptoid Helix Assembly. Acs Macro Letters, 13, 423-428.
Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in Pyrochlore-like $\lambda$-RhO2
Chamorro, J., Zuo, J. L., Bassey, E., Watkins, A., Zhu, G., Zohar, A., et al. (2024). Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in Pyrochlore-like $\lambda$-RhO2. Chemistry Of Materials.
Nanoscale water—polymer interactions tune macroscopic diffusivity of water in aqueous poly (ethylene oxide) solutions
Moon, J., Webber, T., Brown, D. R., Richardson, P. M., Casey, T., Segalman, R. A., et al. (2024). Nanoscale water—polymer interactions tune macroscopic diffusivity of water in aqueous poly (ethylene oxide) solutions. Chemical Science.
Dangling bonds, the charge neutrality level, and band alignment in semiconductors
Varley, J. B., Janotti, A., & Van de Walle, C. G. (2024). Dangling bonds, the charge neutrality level, and band alignment in semiconductors. Journal Of Applied Physics, 135.
Validating spatio-temporal environmental machine learning models: Simpson’s paradox and data splits
Boser, A. (2024). Validating spatio-temporal environmental machine learning models: Simpson’s paradox and data splits. Environmental Research Communications.
The Asteroseismological Richness of RCB and dLHdC Stars
Wong, T. L. S., & Bildsten, L. (2024). The Asteroseismological Richness of RCB and dLHdC Stars. The Astrophysical Journal, 962, 20.
Antiphase boundaries in B 2 intermetallics: Proximate structures, formation energies, and chemical stability
Mayer, J. A., Pollock, T. M., Vamsi, K. V., & Seshadri, R. (2024). Antiphase boundaries in B 2 intermetallics: Proximate structures, formation energies, and chemical stability. Physical Review Materials, 8, 013610.
Screening Aluminum-Based Compounds as Low-$\kappa$ Dielectrics for High-Frequency Applications
Morgan, E. E., Zohar, A., Lipkin, S., Monserrat, B., Vaidyanathan, S., Loeffler, D., et al. (2024). Screening Aluminum-Based Compounds as Low-$\kappa$ Dielectrics for High-Frequency Applications. Chemistry Of Materials.
Q-RBSA: high-resolution 3D EBSD map generation using an efficient quaternion transformer network
Jangid, D. K., Brodnik, N. R., Echlin, M. L. P., Gudavalli, C., Levenson, C., Pollock, T. M., et al. (2024). Q-RBSA: high-resolution 3D EBSD map generation using an efficient quaternion transformer network. Npj Computational Materials, 10, 27.
Bridging the Gap in Cryopreservation Mechanism: Unraveling the Interplay between Structure, Dynamics, and Thermodynamics in Cryoprotectant Aqueous Solutions
Mahanta, D. D., Brown, D. R., Webber, T., Pezzotti, S., Schwaab, G., Han, S., et al. (2024). Bridging the Gap in Cryopreservation Mechanism: Unraveling the Interplay between Structure, Dynamics, and Thermodynamics in Cryoprotectant Aqueous Solutions. The Journal Of Physical Chemistry B.
The Asteroseismological Richness of RCB and dLHdC Stars
Wong, T. L. S., & Bildsten, L. (2024). The Asteroseismological Richness of RCB and dLHdC Stars. The Astrophysical Journal, 962, 20.
Deformation mechanisms and defect structures in Heusler intermetallic MnCu2Al
Rhodes, B., Mayer, J. A., Xu, S., Lamb, J., Wendorf, J., Echlin, M. L. P., et al. (2024). Deformation mechanisms and defect structures in Heusler intermetallic MnCu2Al. Acta Materialia, 119711.
Quantification of melt pool dynamics and microstructure during simulated additive manufacturing
Lamb, J., Ochoa, R., Eres-Castellanos, A., Klemm-Toole, J., Echlin, M. L. P., Sun, T., et al. (2024). Quantification of melt pool dynamics and microstructure during simulated additive manufacturing. Scripta Materialia, 245, 116036.
Q-RBSA: high-resolution 3D EBSD map generation using an efficient quaternion transformer network
Jangid, D. K., Brodnik, N. R., Echlin, M. L. P., Gudavalli, C., Levenson, C., Pollock, T. M., et al. (2024). Q-RBSA: high-resolution 3D EBSD map generation using an efficient quaternion transformer network. Npj Computational Materials, 10, 27.
Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in Pyrochlore-like $\lambda$-RhO2
Chamorro, J., Zuo, J. L., Bassey, E., Watkins, A., Zhu, G., Zohar, A., et al. (2024). Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in Pyrochlore-like $\lambda$-RhO2. Chemistry Of Materials.
3D Interfaces Enhance Nanolaminate Strength and Deformability in Multiple Loading Orientations
Cheng, J. Y., Wang, J., Chen, Y., Xu, S., Barriocanal, J., Baldwin, K., et al. (2024). 3D Interfaces Enhance Nanolaminate Strength and Deformability in Multiple Loading Orientations. Acta Materialia, 119697.
Data-driven texture design for reducing elastic and plastic anisotropy in titanium alloys
Ahmadikia, B., Paraskevas, O., Van Hyning, W., Hestroffer, J., Beyerlein, I. J., & Thrampoulidis, C. (2024). Data-driven texture design for reducing elastic and plastic anisotropy in titanium alloys. Acta Materialia, 265, 119585.
Optimizing Polarization Selective Unidirectional Photoluminescence from Phased-Array Metasurfaces
Heki, L., Mohtashami, Y., Chao, R., Ewing, J., Quevedo, A., Nakamura, S., et al. (2024). Optimizing Polarization Selective Unidirectional Photoluminescence from Phased-Array Metasurfaces. Advanced Optical Materials, 2303186.
Antiphase boundaries in B 2 intermetallics: Proximate structures, formation energies, and chemical stability
Mayer, J. A., Pollock, T. M., Vamsi, K. V., & Seshadri, R. (2024). Antiphase boundaries in B 2 intermetallics: Proximate structures, formation energies, and chemical stability. Physical Review Materials, 8, 013610.