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

2025

Tunably polarized driving light controls the phase diagram of one-dimensional quasicrystals and two-dimensional quantum Hall matter
Bai, Y., & Weld, D. M. (2025). Tunably polarized driving light controls the phase diagram of one-dimensional quasicrystals and two-dimensional quantum Hall matter. Physical Review B, 111, 115163.
Context Dependency of Hydrophobicity in Intrinsically Disordered Proteins: Insights from a New Dewetting Free Energy-Based Hydrophobicity Scale
Najafi, S., Lobo, S., Shell, S., & Shea, J. -E. (2025). Context Dependency of Hydrophobicity in Intrinsically Disordered Proteins: Insights from a New Dewetting Free Energy-Based Hydrophobicity Scale. The Journal Of Physical Chemistry B.
Characterizing the Sequence Landscape of Peptide Fibrillization with a Bottom-Up Coarse-Grained Model
Pretti, E., & Shell, S. (2025). Characterizing the Sequence Landscape of Peptide Fibrillization with a Bottom-Up Coarse-Grained Model. The Journal Of Physical Chemistry B, 129, 3559-3570.
Shedding light on patterns of unconventional expression of opsin genes in Hydra vulgaris
Stoilova, M., Picciani, N., Macias-Mu\~noz, A., & Oakley, T. H. (2025). Shedding light on patterns of unconventional expression of opsin genes in Hydra vulgaris. Integrative And Comparative Biology, icaf100.
Compatibilization of Immiscible Polymer Blends through Pendant Ionic Interactions
Edmund, J., Karnaukh, K., Xie, S., Murphy, E. A., Abdilla, A., Ino, E., et al. (2025). Compatibilization of Immiscible Polymer Blends through Pendant Ionic Interactions. Macromolecules, 58, 7425-7433.
Increasing light extraction efficiency for UV LEDs with a low coverage p-GaN hole injection layer
Wang, M., Gong, W., Wu, F., Tak, T., DenBaars, S. P., Nakamura, S., & Speck, J. S. (2025). Increasing light extraction efficiency for UV LEDs with a low coverage p-GaN hole injection layer. Optics Express, 33, 19391-19398.
Noise-augmented chaotic Ising machines for combinatorial optimization and sampling
Lee, K., Chowdhury, S., & Camsari, K. Y. (2025). Noise-augmented chaotic Ising machines for combinatorial optimization and sampling. Communications Physics, 8, 35.
Impact of Subsurface Oxygen on CO2 Charging Energy Changes in Cu Surfaces
Lei, X., & Vlcek, V. (2025). Impact of Subsurface Oxygen on CO2 Charging Energy Changes in Cu Surfaces. The Journal Of Physical Chemistry Letters, 16, 1126-1133.
Impact of Ge, Ga, and Al doping on the mechanical and electronic properties of Cr3Si: insights from first-principles calculations
Karbasizadeh, S., & Amirabbasi, M. (2025). Impact of Ge, Ga, and Al doping on the mechanical and electronic properties of Cr3Si: insights from first-principles calculations. Physica Scripta.
Ejecta Wakes from Companion Interaction in Type Ia Supernova Remnants
Prust, L., Kumar, G., & Bildsten, L. (2025). Ejecta Wakes from Companion Interaction in Type Ia Supernova Remnants. The Astrophysical Journal, 982, 60.
A versatile machine learning workflow for high-throughput analysis of supported metal catalyst particles
Genc, A., Marlowe, J., Jalil, A., Belzberg, D., Kovarik, L., & Christopher, P. (2025). A versatile machine learning workflow for high-throughput analysis of supported metal catalyst particles. Ultramicroscopy, 271, 114116.
stagg:: A data pre-processing R package for climate impacts analysis
Liddell, T., Boser, A., Orofino, S., Mangin, T., & Carleton, T. (2025). stagg:: A data pre-processing R package for climate impacts analysis. Environmental Modelling \& Software, 183, 106202.
Consistency of spin effects between numerical relativity and perturbation theory for inspiraling comparable-mass black hole binaries
Islam, T., Khanna, G., & Field, S. (2025). Consistency of spin effects between numerical relativity and perturbation theory for inspiraling comparable-mass black hole binaries. Arxiv Preprint Arxiv:2510.00531.
Universal Phase Identification of Block Copolymers From Physics-Informed Machine Learning
Fang, X., Murphy, E. A., Kohl, P., Li, Y., Hawker, C. J., Bates, C. M., & Gu, M. (2025). Universal Phase Identification of Block Copolymers From Physics-Informed Machine Learning. Journal Of Polymer Science.
Efficient Computation of Single-Chain Partition Functions in Field-Theoretic Simulations of Polymers With Nested Tree-Like Topologies
Li, C., Delaney, K. T., Shell, S., & Fredrickson, G. H. (2025). Efficient Computation of Single-Chain Partition Functions in Field-Theoretic Simulations of Polymers With Nested Tree-Like Topologies. Macromolecular Theory And Simulations, e70000.
Telechelic Dithiol Copolymers as Tunable Building Blocks for Synthesizing Multiblock Materials
Czuczola, M., Hossain, M., Shannon, D., Morris, P., Getty, P., Bates, C. M., et al. (2025). Telechelic Dithiol Copolymers as Tunable Building Blocks for Synthesizing Multiblock Materials. Journal Of Polymer Science, 63, 759-765.
The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics
Behara, S. S., & Van der Ven, A. (2025). The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics. Acs Energy Letters, 10, 1772-1778.
De novo design of porphyrin-containing proteins as efficient and stereoselective catalysts
Hou, K., Huang, W., Qi, M., Tugwell, T., Alturaifi, T., Chen, Y., et al. (2025). De novo design of porphyrin-containing proteins as efficient and stereoselective catalysts. Science, 388, 665-670.
High-throughput Discovery of Anti-gap Semiconductors
Xiang, Z., Zhang, F., & Liao, B. (2025). High-throughput Discovery of Anti-gap Semiconductors. Arxiv Preprint Arxiv:2503.15782.
Propargylic Alcohol as a Key Substrate Motif for Achieving Enantioselective Gold-Catalyzed Enyne Cycloisomerization
Li, Y., Wu, X., Gutman, K., Yang, J., & Zhang, L. (2025). Propargylic Alcohol as a Key Substrate Motif for Achieving Enantioselective Gold-Catalyzed Enyne Cycloisomerization. Journal Of The American Chemical Society, 147, 27207-27212.