Publications

CSC research acknowledged in publications and presentations.

Please remember to continue to acknowledge the use of CSC resources with

 

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

2020

The role of delocalized chemical bonding in square-net-based topological semimetals
Klemenz, S., Hay, A. K., Teicher, S. M. L., Topp, A., Cano, J., & Schoop, L. M. (2020). The role of delocalized chemical bonding in square-net-based topological semimetals. Journal Of The American Chemical Society. https://doi.org/10.1021/jacs.0c01227
A New Class of Roche Lobe\textendashfilling Hot Subdwarf Binaries
Kupfer, T., Bauer, E. B., Burdge, K. B., van Roestel, J., Bellm, E. C., Fuller, J., et al. (2020). A New Class of Roche Lobe\textendashfilling Hot Subdwarf Binaries. The Astrophysical Journal Letters, 898, L25. https://doi.org/10.3847/2041-8213/aba3c2
A new family of liquid and solid guanidine-based n-type dopants for solution-processed perovskite solar cells
Nakayama, H., Schneider, J. A., Faust, M., Wang, H., de Alaniz, J. R., & Chabinyc, M. L. (2020). A new family of liquid and solid guanidine-based n-type dopants for solution-processed perovskite solar cells. Materials Chemistry Frontiers. https://doi.org/10.1039/d0qm00437e
A new software framework for implementing crystal growth models to materials of any crystallographic complexity
Zhao, Y., Tilbury, C. J., Landis, S., Sun, Y., Li, J., Zhu, P., & Doherty, M. F. (2020). A new software framework for implementing crystal growth models to materials of any crystallographic complexity. Crystal Growth \& Design. https://doi.org/10.1021/acs.cgd.9b01105
Nitrogen pollution interacts with heat stress to increase coral bleaching across the seascape
Donovan, M. K., Adam, T. C., Shantz, A. A., Speare, K. E., Munsterman, K. S., Rice, M. M., et al. (2020). Nitrogen pollution interacts with heat stress to increase coral bleaching across the seascape. Proceedings Of The National Academy Of Sciences, 117, 5351\textendash5357. https://doi.org/10.1073/pnas.1915395117
Nitrogen-Doped graphene coated FeS2 microsphere composite as high-performance anode materials for sodium-ion batteries enhanced by the chemical and structural synergistic effect
Hou, T., Yue, S., Sun, X., Fan, A., Chen, Y., Wang, M., et al. (2020). Nitrogen-Doped graphene coated FeS2 microsphere composite as high-performance anode materials for sodium-ion batteries enhanced by the chemical and structural synergistic effect. Applied Surface Science, 505, 144633. https://doi.org/10.1016/j.apsusc.2019.144633
Non-unitary dynamics of Sachdev-Ye-Kitaev chains
Liu, C., Zhang, P., & Chen, X. (2020). Non-unitary dynamics of Sachdev-Ye-Kitaev chains. Measurement, 5, 15.
Numerical Simulation of Finite-Temperature Field Theory for Interacting Bosons
Delaney, K. T., Orland, H., & Fredrickson, G. H. (2020). Numerical Simulation of Finite-Temperature Field Theory for Interacting Bosons. Physical Review Letters, 124, 070601. https://doi.org/10.1103/PhysRevLett.124.070601
Operator L\ evy Flight: Light Cones in Chaotic Long-Range Interacting Systems
Zhou, T., Xu, S., Chen, X., Guo, A., & Swingle, B. (2020). Operator L\ evy Flight: Light Cones in Chaotic Long-Range Interacting Systems. Physical Review Letters, 124, 180601. https://doi.org/10.1103/PhysRevLett.124.180601
Performing solvation free energy calculations in LAMMPS using the decoupling approach
Khanna, V., Monroe, J. I., Doherty, M. F., & Peters, B. (2020). Performing solvation free energy calculations in LAMMPS using the decoupling approach. Journal Of Computer-Aided Molecular Design, 1\textendash6. https://doi.org/10.1007/s10822-020-00303-3
Ordering and Structural Transformations in Layered K x CrO2 for K-Ion Batteries
Kaufman, J. L., & Van der Ven, A. (2020). Ordering and Structural Transformations in Layered K x CrO2 for K-Ion Batteries. Chemistry Of Materials, 32, 6392\textendash6400. https://doi.org/10.1021/acs.chemmater.0c01460
Quasiparticles and Band Structures in Organized Nanostructures of Donor\textendashAcceptor Copolymers
Weng, G., & Vlcek, V. (2020). Quasiparticles and Band Structures in Organized Nanostructures of Donor\textendashAcceptor Copolymers. The Journal Of Physical Chemistry Letters, 11, 7177\textendash7183. https://doi.org/10.1021/acs.jpclett.0c02262
Protein Stability in TMAO and Mixed Urea-TMAO Solutions
Ganguly, P., Polak, J., van der Vegt, N. F. A., Heyda, J., & Shea, J. -E. (2020). Protein Stability in TMAO and Mixed Urea-TMAO Solutions. The Journal Of Physical Chemistry B. https://doi.org/10.1021/acs.jpcb.0c04357
Prospects for high carrier mobility in the cubic germanates
Rowberg, A., Krishnaswamy, K., & Van de Walle, C. G. (2020). Prospects for high carrier mobility in the cubic germanates. Semiconductor Science And Technology. https://doi.org/10.1088/1361-6641/ab97f6
Physical constraints on early blastomere packings
Giammona, J., & As, O. C. \. (2020). Physical constraints on early blastomere packings. Biorxiv. https://doi.org/10.1101/2020.05.29.123067
Phylogenomic analysis and morphological data suggest left-right swimming behavior evolved prior to the origin of the pelagic Phylliroidae (Gastropoda: Nudibranchia)
Goodheart, J. A., & Wägele, H. (2020). Phylogenomic analysis and morphological data suggest left-right swimming behavior evolved prior to the origin of the pelagic Phylliroidae (Gastropoda: Nudibranchia). Organisms Diversity \& Evolution, 1\textendash11. https://doi.org/10.1007/s13127-020-00458-9
The Proline-rich Domain Promotes Tau Liquid Liquid Phase Separation in Cells
Zhang, X., Vigers, M., McCarty, J., Rauch, J. N., Fredrickson, G. H., Wilson, M. Z., et al. (2020). The Proline-rich Domain Promotes Tau Liquid Liquid Phase Separation in Cells. Biorxiv. https://doi.org/10.1101/2020.05.04.076968

2019

Optimized Phase Field Model for Diblock Copolymer Melts
Liu, J., ia-Cervera, C. J. G. \ \, Delaney, K. T., & Fredrickson, G. H. (2019). Optimized Phase Field Model for Diblock Copolymer Melts. Macromolecules, 52, 2878\textendash2888. https://doi.org/10.1021/acs.macromol.9b00194
Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions
Lin, Y., McCarty, J., Rauch, J. N., Delaney, K. T., Kosik, K. S., Fredrickson, G. H., et al. (2019). Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions. Elife, 8, e42571. https://doi.org/10.7554/eLife.42571
Multiscale network characterization of the strength and robustness of trabecular bone
Nguyen, C. (2019). Multiscale network characterization of the strength and robustness of trabecular bone. https://doi.org/10.1103/PhysRevLett.125.038003