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

Molecular Dynamics Simulations of Structure and Ion Transport in Polymeric Zwitterionic Electrolytes
Kamata, M., Grzetic, D., Delaney, K., Frischknecht, A., & Fredrickson, G. (2023). Molecular Dynamics Simulations of Structure and Ion Transport in Polymeric Zwitterionic Electrolytes. Bulletin Of The American Physical Society.
Multiscale modeling of solute diffusion in triblock copolymer membranes
Cooper, A. J., Howard, M. P., Kadulkar, S., Zhao, D., Delaney, K. T., Ganesan, V., et al. (2023). Multiscale modeling of solute diffusion in triblock copolymer membranes. The Journal Of Chemical Physics, 158, 024905.
Phase-field simulations of morphology development in reactive polymer blending
Sengupta, R., Tikekar, M. D., Raj, J., Delaney, K. T., Villet, M. C., & Fredrickson, G. H. (2023). Phase-field simulations of morphology development in reactive polymer blending. Journal Of Rheology, 67, 1\textendash14.
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.
Dynamic correlations in lipid bilayer membranes over finite time intervals
Schoch, R., Haran, G., & Brown, F. L. H. (2023). Dynamic correlations in lipid bilayer membranes over finite time intervals. The Journal Of Chemical Physics, 158.
Phase-field simulations of morphology development in reactive polymer blending
Sengupta, R., Tikekar, M. D., Raj, J., Delaney, K. T., Villet, M. C., & Fredrickson, G. H. (2023). Phase-field simulations of morphology development in reactive polymer blending. Journal Of Rheology, 67, 1-14.
Relationships between Molecular Structural Order Parameters and Equilibrium Water Dynamics in Aqueous Mixtures
Brown, D., Webber, T., Jiao, S., Mirabal, D. M. R., Han, S., & Shell, S. (2023). Relationships between Molecular Structural Order Parameters and Equilibrium Water Dynamics in Aqueous Mixtures. The Journal Of Physical Chemistry B.
Coarsening dynamics of ternary polymer solutions with mobility and viscosity contrasts
Garcia, J. U., Tree, D. R., Bagoyo, A., Iwama, T., Delaney, K. T., & Fredrickson, G. H. (2023). Coarsening dynamics of ternary polymer solutions with mobility and viscosity contrasts. The Journal Of Chemical Physics, 159.
Thermodynamic modeling and experimental data reveal that sugars stabilize proteins according to an excluded volume mechanism
Arsiccio, A., Sarter, T., Polidori, I., Winter, G., Pisano, R., & Shea, J. -E. (2023). Thermodynamic modeling and experimental data reveal that sugars stabilize proteins according to an excluded volume mechanism. Journal Of The American Chemical Society, 145, 16678-16690.
Coarse-grained methods for heterogeneous vesicles with phase-separated domains: Elastic mechanics of shape fluctuations, plate compression, and channel insertion
Rower, D., & Atzberger, P. J. (2023). Coarse-grained methods for heterogeneous vesicles with phase-separated domains: Elastic mechanics of shape fluctuations, plate compression, and channel insertion. Mathematics And Computers In Simulation, 209, 342-361.
Multiscale modeling of solute diffusion in triblock copolymer membranes
Cooper, A. J., Howard, M. P., Kadulkar, S., Zhao, D., Delaney, K. T., Ganesan, V., et al. (2023). Multiscale modeling of solute diffusion in triblock copolymer membranes. The Journal Of Chemical Physics, 158.
Entanglement domain walls in monitored quantum circuits and the directed polymer in a random environment
Li, Y., Vijay, S., & Fisher, M. P. A. (2023). Entanglement domain walls in monitored quantum circuits and the directed polymer in a random environment. Prx Quantum, 4, 010331.
Desperately seeking soft structures
Fredrickson, G. H. (2023). Desperately seeking soft structures. Proceedings Of The National Academy Of Sciences, 120, e2318123120.
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.
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.
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.
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.