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

Redox Mechanisms, Structural Changes, and Electrochemistry of the Wadsley—Roth Li x TiNb2O7 Electrode Material
Saber, M., Behara, S. S., & Van der Ven, A. (2023). Redox Mechanisms, Structural Changes, and Electrochemistry of the Wadsley—Roth Li x TiNb2O7 Electrode Material. Chemistry Of Materials, 35, 9657-9668.
Regional benthic $\delta$18O stacks for the “41-kyr world”-an Atlantic-Pacific divergence between 1.8-1.9 Ma
Zhou, Y., Lorraine, L., Lee, T., Gebbie, G., & Lawrence, C. (2023). Regional benthic $\delta$18O stacks for the “41-kyr world”-an Atlantic-Pacific divergence between 1.8-1.9 Ma. Authorea Preprints.
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.
A molecularly informed field-theoretic study of the complexation of polycation PDADMA with mixed micelles of sodium dodecyl sulfate and ethoxylated surfactants
Nguyen, M., Shen, K., Sherck, N., Köhler, S., Gupta, R., Delaney, K. T., et al. (2023). A molecularly informed field-theoretic study of the complexation of polycation PDADMA with mixed micelles of sodium dodecyl sulfate and ethoxylated surfactants. The European Physical Journal E, 46, 75.
Phase Separation, Reaction Equilibrium, and Self-Assembly in Binary Telechelic Homopolymer Blends
Vigil, D. L., Zhang, A., Delaney, K. T., & Fredrickson, G. H. (2023). Phase Separation, Reaction Equilibrium, and Self-Assembly in Binary Telechelic Homopolymer Blends. Macromolecules.
Colloidal transport phenomena in dynamic, pulsating porous materials
Nagella, S., & Takatori, S. C. (2023). Colloidal transport phenomena in dynamic, pulsating porous materials. Aiche Journal, 69, e18215.
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.
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.
Focal Points for Giving
Cross, J., & Zhang, G. (2023). Focal Points for Giving. Available At Ssrn 4570090.
Magnetic order in the S eff= 1/2 triangular-lattice compound NdCd 3 P 3
Chamorro, J., Jackson, A., Watkins, A., Seshadri, R., & Wilson, S. D. (2023). Magnetic order in the S eff= 1/2 triangular-lattice compound NdCd 3 P 3. Physical Review Materials, 7, 094402.
Cross entropy benchmark for measurement-induced phase transitions
Li, Y., Zou, Y., Glorioso, P., Altman, E., & Fisher, M. P. A. (2023). Cross entropy benchmark for measurement-induced phase transitions. Physical Review Letters, 130, 220404.
Telecom-wavelength NV-center analogs in cubic boron nitride
Turiansky, M. E., & Van de Walle, C. G. (2023). Telecom-wavelength NV-center analogs in cubic boron nitride. Physical Review B, 108, L041102.
Tethered together: DASA design towards aqueous compatibility
Peterson, J. A., Neris, N., & de Alaniz, J. R. (2023). Tethered together: DASA design towards aqueous compatibility. Chemical Science, 14, 13025-13030.
Cosmic-CoNN: A Cosmic-Ray Detection Deep-learning Framework, Data Set, and Toolkit
Xu, C., McCully, C., Dong, B., Howell, A., & Sen, P. (2023). Cosmic-CoNN: A Cosmic-Ray Detection Deep-learning Framework, Data Set, and Toolkit. The Astrophysical Journal, 942, 73.
Dark field X-ray microscopy below liquid-helium temperature: The case of NaMnO2
Plumb, J., Poudyal, I., Dally, R. L., Daly, S., Wilson, S. D., & Islam, Z. (2023). Dark field X-ray microscopy below liquid-helium temperature: The case of NaMnO2. Materials Characterization, 204, 113174.