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

2022

Self-Consistent Field Theory Predicts Universal Phase Behavior for Linear, Comb, and Bottlebrush Diblock Copolymers
Vigil, D. L., Quah, T., Sun, D., Delaney, K. T., & Fredrickson, G. H. (2022). Self-Consistent Field Theory Predicts Universal Phase Behavior for Linear, Comb, and Bottlebrush Diblock Copolymers. Macromolecules.
Sequence Modulates Polypeptoid Hydration Water Structure and Dynamics
Jiao, S., Mirabal, D. M. R., DeStefano, A. J., Segalman, R. A., Han, S., & Shell, S. (2022). Sequence Modulates Polypeptoid Hydration Water Structure and Dynamics. Biomacromolecules.
A sharp numerical method for the simulation of Stefan problems with convective effects
Bayat, E., Egan, R., Bochkov, D., Sauret, A., & Gibou, F. \ ed\ eric. (2022). A sharp numerical method for the simulation of Stefan problems with convective effects. Journal Of Computational Physics, 471, 111627.
Shock Breakout in Three-dimensional Red Supergiant Envelopes
Goldberg, J. A., Jiang, Y. -F., & Bildsten, L. (2022). Shock Breakout in Three-dimensional Red Supergiant Envelopes. The Astrophysical Journal, 933, 164.
Shock-induced amorphization in medium entropy alloy CoCrNi
Jian, W. -R., Xie, Z., Xu, S., Yao, X., & Beyerlein, I. J. (2022). Shock-induced amorphization in medium entropy alloy CoCrNi. Scripta Materialia, 209, 114379.
Simulation-guided analysis of resonant soft X-ray scattering for determining the microstructure of triblock copolymers
Reynolds, V. G., Callan, D. H., Saurabh, K., Murphy, E. A., Albanese, K. R., Chen, Y. -Q., et al. (2022). Simulation-guided analysis of resonant soft X-ray scattering for determining the microstructure of triblock copolymers. Molecular Systems Design \& Engineering, 7, 1449\textendash1458.
Simulations of Bose Dynamics at Finite Temperature by Complex Langevin Sampling Coherent States on a Keldysh Contour
Delaney, K., Orland, H., & Fredrickson, G. (2022). Simulations of Bose Dynamics at Finite Temperature by Complex Langevin Sampling Coherent States on a Keldysh Contour. Bulletin Of The American Physical Society.
Simultaneous High-Strength and Deformable Nanolaminates With Thick Biphase Interfaces
Cheng, J. Y., Xu, S., Chen, Y., Li, Z., Baldwin, J. K., Beyerlein, I. J., & Mara, N. A. (2022). Simultaneous High-Strength and Deformable Nanolaminates With Thick Biphase Interfaces. Nano Letters, 22, 1897\textendash1904.
Sluggish dislocation mobility and high propensity for cross-slip at elevated temperatures in the MoNbTi Refractory Multi-Principal Element Alloy
Jones, M., Fey, L., & Beyerlein, I. (2022). Sluggish dislocation mobility and high propensity for cross-slip at elevated temperatures in the MoNbTi Refractory Multi-Principal Element Alloy.
Spatially redundant, precision-constrained transmit precoding for mmWave LoS MIMO
Sezer, A. D., & Madhow, U. (2022). Spatially redundant, precision-constrained transmit precoding for mmWave LoS MIMO. Presented at the. IEEE.
Synthesizing Spectra from 3D Radiation Hydrodynamic Models of Massive Stars Using Monte Carlo Radiation Transport
Schultz, W. C., Tsang, B. T. H., Bildsten, L., & Jiang, Y. -F. (2022). Synthesizing Spectra from 3D Radiation Hydrodynamic Models of Massive Stars Using Monte Carlo Radiation Transport. Arxiv Preprint Arxiv:2209.14772.
Synthetic control of structure and conduction properties in Na\textendashY\textendashZr\textendashCl solid electrolytes
Sebti, E., Qi, J., Richardson, P. M., Ridley, P., Wu, E. A., Banerjee, S., et al. (2022). Synthetic control of structure and conduction properties in Na\textendashY\textendashZr\textendashCl solid electrolytes. Journal Of Materials Chemistry A, 10, 21565\textendash21578.
Thick interface size effect on dislocation transmission in nanolaminates
Xu, S., Cheng, J. Y., Mara, N. A., & Beyerlein, I. J. (2022). Thick interface size effect on dislocation transmission in nanolaminates. Presented at the. IOP Publishing.
Topological surface states and flat bands in the kagome superconductor CsV3Sb5
Hu, Y., Teicher, S. M. L., Ortiz, B. R., Luo, Y., Peng, S., Huai, L., et al. (2022). Topological surface states and flat bands in the kagome superconductor CsV3Sb5. Science Bulletin, 67, 495\textendash500.
A Transfer Free Energy Based Implicit Solvent Model for Protein Simulations in Solvent Mixtures: Urea-Induced Denaturation as a Case Study
Arsiccio, A., Ganguly, P., & Shea, J. -E. (2022). A Transfer Free Energy Based Implicit Solvent Model for Protein Simulations in Solvent Mixtures: Urea-Induced Denaturation as a Case Study. The Journal Of Physical Chemistry B.
Transitions in the morphology and critical stresses of gliding dislocations in multiprincipal element alloys
Fey, L. T. W., Xu, S., Su, Y., Hunter, A., & Beyerlein, I. J. (2022). Transitions in the morphology and critical stresses of gliding dislocations in multiprincipal element alloys. Physical Review Materials, 6, 013605.
Adaptable physics-based super-resolution for electron backscatter diffraction maps
Jangid, D. K., Brodnik, N. R., Goebel, M. G., Khan, A., Majeti, S. S., Echlin, M. L. P., et al. (2022). Adaptable physics-based super-resolution for electron backscatter diffraction maps. Npj Computational Materials, 8, 255.
Investigation of the Self-Assembly Behavior of Statistical Bottlebrush Copolymers via Self-Consistent Field Theory Simulations
Chen, D., Quah, T., Delaney, K. T., & Fredrickson, G. H. (2022). Investigation of the Self-Assembly Behavior of Statistical Bottlebrush Copolymers via Self-Consistent Field Theory Simulations. Macromolecules, 55, 9324-9333.
Direct free energy evaluation of classical and quantum many-body systems via field-theoretic simulation
Fredrickson, G. H., & Delaney, K. T. (2022). Direct free energy evaluation of classical and quantum many-body systems via field-theoretic simulation. Proceedings Of The National Academy Of Sciences, 119, e2201804119.
Porous Media Microstructure Determines the Diffusion of Active Matter: Experiments and Simulations
Modica, K. J., Xi, Y., & Takatori, S. C. (2022). Porous Media Microstructure Determines the Diffusion of Active Matter: Experiments and Simulations. Frontiers In Physics, 10, 232.