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

2023

Nonequilibrium interactions between multi-scale colloids regulate the suspension microstructure and rheology
Xu, Y., & Takatori, S. C. (2023). Nonequilibrium interactions between multi-scale colloids regulate the suspension microstructure and rheology. Soft Matter, 19, 8531-8541.
Desymmetrization and Parallel Kinetic Resolution of 1-Ethynylcyclobutanols via Asymmetric Cooperative Gold Catalysis
Zhao, K., Yang, Z., Yang, J., Li, X., Quintanilla, C., & Zhang, L. (2023). Desymmetrization and Parallel Kinetic Resolution of 1-Ethynylcyclobutanols via Asymmetric Cooperative Gold Catalysis. Journal Of The American Chemical Society, 145, 27205-27210.
Mapping the configurational landscape and aggregation phase behavior of the tau protein fragment PHF6
Pretti, E., & Shell, S. (2023). Mapping the configurational landscape and aggregation phase behavior of the tau protein fragment PHF6. Proceedings Of The National Academy Of Sciences, 120, e2309995120.
Improved Elastic Recovery from ABC Triblock Terpolymers
Albanese, K. R., Blankenship, J. R., Quah, T., Zhang, A., Delaney, K. T., Fredrickson, G. H., et al. (2023). Improved Elastic Recovery from ABC Triblock Terpolymers. Acs Polymers Au, 3, 376-382.
Design of Soft Material Surfaces with Rationally Tuned Water Diffusivity
DeStefano, A. J., Nguyen, M., Fredrickson, G. H., Han, S., & Segalman, R. A. (2023). Design of Soft Material Surfaces with Rationally Tuned Water Diffusivity. Acs Central Science, 9, 1019-1024.
Phosphates form spectroscopically dark state assemblies in common aqueous solutions
Straub, J. S., Nowotarski, M. S., Lu, J., Sheth, T., Jiao, S., Fisher, M. P. A., et al. (2023). Phosphates form spectroscopically dark state assemblies in common aqueous solutions. Proceedings Of The National Academy Of Sciences, 120, e2206765120.
Boundary design regulates the diffusion of active matter in heterogeneous environments
Modica, K. J., Omar, A., & Takatori, S. C. (2023). Boundary design regulates the diffusion of active matter in heterogeneous environments. Soft Matter, 19, 1890-1899.
Local solvation structures govern the mixing thermodynamics of glycerol—water solutions
Mahanta, D. D., Brown, D. R., Pezzotti, S., Han, S., Schwaab, G., Shell, S., & Havenith, M. (2023). Local solvation structures govern the mixing thermodynamics of glycerol—water solutions. Chemical Science, 14, 7381-7392.

2022

Computational design and optimization of nanostructured AlN deep-UV grating reflectors
Shapturenka, P., Devata, A., DenBaars, S. P., Nakamura, S., & Gordon, M. J. (2022). Computational design and optimization of nanostructured AlN deep-UV grating reflectors. Optics Express, 30, 12120\textendash12130.
Cosolvent Exclusion Drives Protein Stability in Trimethylamine N-Oxide and Betaine Solutions
Ganguly, P., ak, D. B. \, Polak, J., Fagan, P., y, M. D. \v c\ \insk\, van der Vegt, N. F. A., et al. (2022). Cosolvent Exclusion Drives Protein Stability in Trimethylamine N-Oxide and Betaine Solutions. The Journal Of Physical Chemistry Letters, 13, 7980\textendash7986.
First-principles investigation of phase stability in layered Na x CrO 2
Kaufman, J. L., & Van der Ven, A. (2022). First-principles investigation of phase stability in layered Na x CrO 2. Physical Review Materials, 6, 115401.
Forest concessions and eco-certifications in the peruvian amazon: Deforestation impacts of logging rights and logging restrictions
Rico-Straffon, J., Wang, Z., Panlasigui, S., Loucks, C. J., Swenson, J., & Pfaff, A. (2022). Forest concessions and eco-certifications in the peruvian amazon: Deforestation impacts of logging rights and logging restrictions. Journal Of Environmental Economics And Management, 102780.
GD-VAEs: Geometric Dynamic Variational Autoencoders for Learning Nonlinear Dynamics and Dimension Reductions
Lopez, R., & Atzberger, P. J. (2022). GD-VAEs: Geometric Dynamic Variational Autoencoders for Learning Nonlinear Dynamics and Dimension Reductions. Arxiv Preprint Arxiv:2206.05183.
Generalizable Deepfake Detection with Phase-Based Motion Analysis
Prashnani, E., Goebel, M., & Manjunath, B. S. (2022). Generalizable Deepfake Detection with Phase-Based Motion Analysis. Arxiv Preprint Arxiv:2211.09363.
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.