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

Predator\textendashprey interactions of terrestrial invertebrates are determined by predator body size and species identity
Kuile, A. M. -ter, Apigo, A., Bui, A., DiFiore, B., Forbes, E. S., Lee, M., et al. (2022). Predator\textendashprey interactions of terrestrial invertebrates are determined by predator body size and species identity. Ecology, e3634.
Predicting Polyelectrolyte Coacervation from a Molecularly Informed Field-Theoretic Model
Nguyen, M., Sherck, N., Shen, K., Edwards, C. E. R., Yoo, B., Köhler, S., et al. (2022). Predicting Polyelectrolyte Coacervation from a Molecularly Informed Field-Theoretic Model. Macromolecules, 55, 9868\textendash9879.
Predicting solubility and driving forces for crystallization using the absolute chemical potential route
Khanna, V., Doherty, M. F., & Peters, B. (2022). Predicting solubility and driving forces for crystallization using the absolute chemical potential route. Molecular Physics, e2155595.
Protein drift-diffusion dynamics and phase separation in curved cell membranes and dendritic spines: Hybrid discrete-continuum methods
Tran, P. D., Blanpied, T. A., & Atzberger, P. J. (2022). Protein drift-diffusion dynamics and phase separation in curved cell membranes and dendritic spines: Hybrid discrete-continuum methods. Physical Review E, 106, 044402.
Quantum Defects from First Principles
Turiansky, M. E. (2022). Quantum Defects from First Principles.
Radiative relativistic magnetohydrodynamic simulations of neutron star column accretion in Cartesian geometry
Zhang, L., Blaes, O., & Jiang, Y. -F. (2022). Radiative relativistic magnetohydrodynamic simulations of neutron star column accretion in Cartesian geometry. Monthly Notices Of The Royal Astronomical Society, 515, 4371\textendash4390.
Rational mechanochemical design of Diels\textendashAlder crosslinked biocompatible hydrogels with enhanced properties
Bailey, S. J., Barney, C. W., Sinha, N. J., Pangali, S. V., Hawker, C. J., Helgeson, M. E., et al. (2022). Rational mechanochemical design of Diels\textendashAlder crosslinked biocompatible hydrogels with enhanced properties. Materials Horizons.
Reinforcement Learning for Intra-and-Inter-Bank Borrowing and Lending Mean Field Control Game
Lin, J., Angiuli, A., Detering, N., Fouque, J. -P., & Laurière, M. (2022). Reinforcement Learning for Intra-and-Inter-Bank Borrowing and Lending Mean Field Control Game. Presented at the.
Role of carbon and hydrogen in limiting n-type doping of monoclinic (AlxGa1-x)2O3
Mu, S., Wang, M., Varley, J. B., Lyons, J. L., Wickramaratne, D., & Van de Walle, C. G. (2022). Role of carbon and hydrogen in limiting n-type doping of monoclinic (AlxGa1-x)2O3. Physical Review B, 105, 155201.
Role of layer thickness and dislocation distribution in confined layer slip in nanolaminated Nb
Jian, W. -R., Xu, S., Su, Y., & Beyerlein, I. J. (2022). Role of layer thickness and dislocation distribution in confined layer slip in nanolaminated Nb. International Journal Of Plasticity, 152, 103239.
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.