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

Simulations of Eccentricity Growth in Compact Binary Accretion Disks with Magnetohydrodynamic Turbulence
Ohana, M., Jiang, Y. -F., Blaes, O., & Oyang, B. (2025). Simulations of Eccentricity Growth in Compact Binary Accretion Disks with Magnetohydrodynamic Turbulence. The Astrophysical Journal, 979, 128.
Active fluids form system-spanning filamentary networks
Gulati, P., Caballero, F., & Marchetti, C. (2025). Active fluids form system-spanning filamentary networks. Physical Review Letters, 134, 138301.
Predicting the solvent effect on crystal morphology via quantum mechanical methods
Zhao, Y., Gee, R., & Doherty, M. F. (2025). Predicting the solvent effect on crystal morphology via quantum mechanical methods. Aiche Journal, e18766.
Iodide Double Perovskites and the Limits of their Structural Stability
Mulligan, A., Kent, G., Zhuang, J., Zohar, A., Albanese, K. R., Morgan, E. E., et al. (2025). Iodide Double Perovskites and the Limits of their Structural Stability. Chemistry&Mdash;A European Journal, 31, e202404009.
Universal phenomenological relations between spherical harmonic modes in nonprecessing eccentric binary black hole merger waveforms
Islam, T., & Venumadhav, T. (2025). Universal phenomenological relations between spherical harmonic modes in nonprecessing eccentric binary black hole merger waveforms. Physical Review D, 111, L081503.
Functional characterization of luciferase in a brittle star indicates parallel evolution influenced by genomic availability of haloalkane dehalogenase
Lau, E., Majerova, M., Hensley, N., Mukherjee, A., Vasina, M., Pluskal, D., et al. (2025). Functional characterization of luciferase in a brittle star indicates parallel evolution influenced by genomic availability of haloalkane dehalogenase. Molecular Biology And Evolution, 42, msaf081.
A solvable model for strongly interacting nonequilibrium excitons
Song, Z., Cookmeyer, T., & Balents, L. (2025). A solvable model for strongly interacting nonequilibrium excitons. Proceedings Of The National Academy Of Sciences, 122, e2424663122.
Geometry-Assisted Phase Selection: Interplay of Phase Heterogeneity and Geometry in Gyroid Shell Metamaterials Printed with 17-4 PH Stainless Steel
Pürstl, J., Fields, B., Ziemke, P., Ventura, N. \, Ainger, K., Apelian, D., et al. (2025). Geometry-Assisted Phase Selection: Interplay of Phase Heterogeneity and Geometry in Gyroid Shell Metamaterials Printed with 17-4 PH Stainless Steel. Advanced Engineering Materials, 2402309.
First-Principles Study of Twin Boundaries and Stacking Faults in $\beta$-Ga2O3
Wang, M., Mu, S., Speck, J. S., & Van de Walle, C. G. (2025). First-Principles Study of Twin Boundaries and Stacking Faults in $\beta$-Ga2O3. Advanced Materials Interfaces, 12, 2300318.
First-Principles Statistical Mechanics Study of Magnetic Fluctuations and Order—Disorder in the Spinel LiNi0. 5Mn1. 5O4 Cathode
Ponte, G., Behara, S. S., Bassey, E., ement, R. ele J. C. \, & Van der Ven, A. (2025). First-Principles Statistical Mechanics Study of Magnetic Fluctuations and Order—Disorder in the Spinel LiNi0. 5Mn1. 5O4 Cathode. Chemistry Of Materials, 37, 1835-1846.
Two-step spin-coating of vacancy-ordered double perovskites enables growth of thin films for electronic devices
Kuklinski, O., Brumberg, A., Tang, L., Mulligan, A., Kodalle, T., Sutter-Fella, C., et al. (2025). Two-step spin-coating of vacancy-ordered double perovskites enables growth of thin films for electronic devices. Journal Of Materials Chemistry C.
Oxygen impurities in AlN and their impact on optical absorption
Yan, Q., Lyons, J. L., Gordon, L., Janotti, A., & Van de Walle, C. G. (2025). Oxygen impurities in AlN and their impact on optical absorption. Applied Physics Letters, 126.
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.
Evidence for a possible quantum effect on the formation of lithium-doped amorphous calcium phosphate from solution
Straub, J. S., Patel, M., Nowotarski, M. S., Rao, L., Turiansky, M. E., Fisher, M. P. A., & Helgeson, M. E. (2025). Evidence for a possible quantum effect on the formation of lithium-doped amorphous calcium phosphate from solution. Proceedings Of The National Academy Of Sciences, 122, e2423211122.
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.
Enhancing Magnetic Dipole Emission from 2D Hybrid Organic—Inorganic Perovskites via Mie Resonator Dimers
Chao, R., Heki, L., Mills, W., & Schuller, J. A. (2025). Enhancing Magnetic Dipole Emission from 2D Hybrid Organic—Inorganic Perovskites via Mie Resonator Dimers. Acs Applied Optical Materials, 3, 737-742.
Exploring a new synthesis route to lithium-excess disordered rock salt (DRX) cathode materials
Chambers, M., Li, T., Liang, Z., Keum, J., Stone, K., ement, R. ele J. C. \, et al. (2025). Exploring a new synthesis route to lithium-excess disordered rock salt (DRX) cathode materials. Materials Advances.
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.
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.
Estimating the Footprint of Artisanal Mining in Africa
Christensen, D., Carleton, T., Rolf, E., Molitor, C., Biswas, S., Yan, K., & Blair, G. (2025). Estimating the Footprint of Artisanal Mining in Africa.