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

Regional disparities in health and employment outcomes of China’s transition to a low-carbon electricity system
Yang, H., Luo, Q., He, G., Lin, J., Johnson, J., Garcia-Menendez, F., et al. (2024). Regional disparities in health and employment outcomes of China’s transition to a low-carbon electricity system. Environmental Research: Energy, 1, 025001.
Inverse design of pore wall chemistry and topology through active learning of surface group interactions
Jiao, S., & Shell, S. (2024). Inverse design of pore wall chemistry and topology through active learning of surface group interactions. The Journal Of Chemical Physics, 160.
Gold-Catalyzed Homo/Heterodimerization of Terminal Alkynes Facilitated by Metal—Ligand Cooperation
Wu, X., & Zhang, L. (2024). Gold-Catalyzed Homo/Heterodimerization of Terminal Alkynes Facilitated by Metal—Ligand Cooperation. Organic Letters, 26, 5736-5740.
Statistical mechanics model for Clifford random tensor networks and monitored quantum circuits
Li, Y., Vasseur, R., Fisher, M. P. A., & Ludwig, A. W. W. (2024). Statistical mechanics model for Clifford random tensor networks and monitored quantum circuits. Physical Review B, 109, 174307.
Role of diffusing interstitials on dislocation glide in refractory body centered cubic metals
Fey, L. T. W., Hunter, A., & Beyerlein, I. J. (2024). Role of diffusing interstitials on dislocation glide in refractory body centered cubic metals. Modelling And Simulation In Materials Science And Engineering, 32, 045001.
Versatile synthesis of siloxane-based graft copolymers with tunable grafting density
Ambra, C., Czuczola, M., Getty, P., Murphy, E. A., Abdilla, A., Biswas, S., et al. (2024). Versatile synthesis of siloxane-based graft copolymers with tunable grafting density. Journal Of Polymer Science, 62, 92-101.
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.
Gold (I)-Catalyzed Desymmetrization of Homopropargylic Alcohols via Cycloisomerization: Enantioselective Synthesis of Cyclopentenes Featuring a Quaternary Chiral Center
Kohnke, P., & Zhang, L. (2024). Gold (I)-Catalyzed Desymmetrization of Homopropargylic Alcohols via Cycloisomerization: Enantioselective Synthesis of Cyclopentenes Featuring a Quaternary Chiral Center. Angewandte Chemie International Edition, 63, e202411292.
Coexistence of antiferrodistortive and polar order in a superconducting SrTi O 3 film
Zhu, G., Hallett, A., Combs, N., Jeong, H., Genc, A., Harter, J. W., & Stemmer, S. (2024). Coexistence of antiferrodistortive and polar order in a superconducting SrTi O 3 film. Physical Review Materials, 8, L051801.
Point defects and doping in wurtzite LaN
Rowberg, A. J. E., Mu, S., & Van de Walle, C. G. (2024). Point defects and doping in wurtzite LaN. Physical Review B, 110, 205206.
High temperature dislocation glide in the MoNbTi refractory multiprincipal element alloy
Jones, M., Fey, L. T. W., & Beyerlein, I. J. (2024). High temperature dislocation glide in the MoNbTi refractory multiprincipal element alloy. Physical Review Materials, 8, 013604.
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.
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.
Stability of Frank—Kasper Phases in AB n Miktoarm Star Polymers with Dispersity in n: Simulations and Experiments
Watanabe, K., Chen, D., Zhu, Y., Callan, D., Fredrickson, G. H., & Bates, C. M. (2024). Stability of Frank—Kasper Phases in AB n Miktoarm Star Polymers with Dispersity in n: Simulations and Experiments. Macromolecules, 57, 11289-11295.
Regional benthic $\delta$18O stacks for the “41-Kyr world”—An Atlantic-Pacific divergence between 1.8 and 1.9 Ma
Zhou, Y., Lisiecki, L., Lee, T., Gebbie, G., & Lawrence, C. (2024). Regional benthic $\delta$18O stacks for the “41-Kyr world”—An Atlantic-Pacific divergence between 1.8 and 1.9 Ma. Geophysical Research Letters, 51, e2023GL107858.
Transition Metal Impurities as Shallow Donors in $\beta$-Ga2O3
Karbasizadeh, S., Mu, S., Turiansky, M. E., & Van de Walle, C. G. (2024). Transition Metal Impurities as Shallow Donors in $\beta$-Ga2O3. Physica Status Solidi (Rrl)&Mdash;Rapid Research Letters, 18, 2300500.
Preserving Positivity: Developments in Density-Explicit Field-Theoretic Simulations
Quah, T., Shen, K., Delaney, K., & Fredrickson, G. (2024). Preserving Positivity: Developments in Density-Explicit Field-Theoretic Simulations. Bulletin Of The American Physical Society.
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.
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.
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.