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

Dynamic Pt Coordination in Dilute AgPt Alloy Nanoparticle Catalysts Under Reactive Environments
Finzel, J., & Christopher, P. (2022). Dynamic Pt Coordination in Dilute AgPt Alloy Nanoparticle Catalysts Under Reactive Environments. Topics In Catalysis, 1\textendash17.
Efficient Treatment of Molecular Excitations in the Liquid phase using stochastic many-body theory
Weng, G., & Vlcek, V. (2022). Efficient Treatment of Molecular Excitations in the Liquid phase using stochastic many-body theory. Bulletin Of The American Physical Society.
Electron count dictates phase separation in Heusler alloys
Mayer, J. A., & Seshadri, R. (2022). Electron count dictates phase separation in Heusler alloys. Physical Review Materials, 6, 054406.
Electronic states dressed by an out-of-plane supermodulation in the quasi-two-dimensional kagome superconductor CsV 3 Sb 5
Luo, Y., Peng, S., Teicher, S. M. L., Huai, L., Hu, Y., Han, Y., et al. (2022). Electronic states dressed by an out-of-plane supermodulation in the quasi-two-dimensional kagome superconductor CsV 3 Sb 5. Physical Review B, 105, L241111.
Elucidating the structure of the charge density wave in the topological kagome metal CsV 3 Sb 5
Harter, J. (2022). Elucidating the structure of the charge density wave in the topological kagome metal CsV 3 Sb 5. Bulletin Of The American Physical Society.
Emergent properties as by-products of prebiotic evolution of aminoacylation ribozymes
Janzen, E., Shen, Y., azquez-Salazar, A. V. \, Liu, Z., Blanco, C., Kenchel, J., & Chen, I. A. (2022). Emergent properties as by-products of prebiotic evolution of aminoacylation ribozymes. Nature Communications, 13, 3631.
Enabling a low-carbon electricity system for Southern Africa
Chowdhury, A. F. M. K., Deshmukh, R., Wu, G. C., Uppal, A., Mileva, A., Curry, T., et al. (2022). Enabling a low-carbon electricity system for Southern Africa. Joule, 6, 1826\textendash1844.
Enantioselective Dearomative Cyclization Enabled by Asymmetric Cooperative Gold Catalysis
Zhao, K., Kohnke, P., Yang, Z., Cheng, X., You, S. -L., & Zhang, L. (2022). Enantioselective Dearomative Cyclization Enabled by Asymmetric Cooperative Gold Catalysis. Angewandte Chemie International Edition, 61, e202207518.
Energetically favorable dislocation/nanobubble bypass mechanism in irradiation conditions
Jian, W. -R., Xu, S., Su, Y., & Beyerlein, I. J. (2022). Energetically favorable dislocation/nanobubble bypass mechanism in irradiation conditions. Acta Materialia, 117849.
Lewis acid\textendashbase pair doping of p-type organic semiconductors
Peterson, K. A., & Chabinyc, M. L. (2022). Lewis acid\textendashbase pair doping of p-type organic semiconductors. Journal Of Materials Chemistry C, 10, 6287\textendash6295.
Integrated single-cell sequencing reveals principles of epigenetic regulation of human gastrulation and germ cell development in a 3D organoid model
Chialastri, A., Karzbrun, E., Khankhel, A. H., Radeke, M. J., Streichan, S. J., & Dey, S. S. (2022). Integrated single-cell sequencing reveals principles of epigenetic regulation of human gastrulation and germ cell development in a 3D organoid model. Biorxiv.
Interfacial reaction-induced roughening in polymer thin films
Sengupta, R., Tikekar, M. D., Delaney, K. T., Villet, M. C., & Fredrickson, G. H. (2022). Interfacial reaction-induced roughening in polymer thin films. Soft Matter.
Inverse Design of Pore Wall Chemistry To Control Solute Transport and Selectivity
Jiao, S., Katz, L. E., & Shell, S. (2022). Inverse Design of Pore Wall Chemistry To Control Solute Transport and Selectivity. Acs Central Science, 8, 1609\textendash1617.
Investigation of the Self-Assembly Behavior of Statistical Bottlebrush Copolymers via Self-Consistent Field Theory Simulations
Chen, D., Quah, T., Delaney, K. T., & Fredrickson, G. H. (2022). Investigation of the Self-Assembly Behavior of Statistical Bottlebrush Copolymers via Self-Consistent Field Theory Simulations. Macromolecules.
Joint Asymptotic Closed-Loop Design of Secondary Transform and Scan Order for Inter Coding in AV1
Sivakumar, K. K., Vishwanath, B., & Rose, K. (2022). Joint Asymptotic Closed-Loop Design of Secondary Transform and Scan Order for Inter Coding in AV1. Presented at the. IEEE.
Lattice Dynamics in the NASICON NaZr2 (PO4) 3 Solid Electrolyte from Temperature-Dependent Neutron Diffraction, NMR, and Ab Initio Computational Studies
Morgan, E. E., Evans, H. A., Pilar, K., Brown, C. M., ement, R. ele J. C. \, Maezono, R., et al. (2022). Lattice Dynamics in the NASICON NaZr2 (PO4) 3 Solid Electrolyte from Temperature-Dependent Neutron Diffraction, NMR, and Ab Initio Computational Studies. Chemistry Of Materials.
Layered Hybrid Lead Iodide Perovskites with Short Interlayer Distances
Mao, L., Morgan, E. E., Li, A., Kennard, R. M., Hong, M. J., Liu, Y., et al. (2022). Layered Hybrid Lead Iodide Perovskites with Short Interlayer Distances. Acs Energy Letters, 7, 2801\textendash2806.
Magnetohydrodynamic simulations of AM CVn accretion disks
Oyang, B. (2022). Magnetohydrodynamic simulations of AM CVn accretion disks.
Exaggerated trans-membrane charge of ammonium transporters in nutrient-poor marine environments
Kellom, M., Pagliara, S., Richards, T. A., & Santoro, A. E. (2022). Exaggerated trans-membrane charge of ammonium transporters in nutrient-poor marine environments. Open Biology, 12, 220041.
A machine learning model to predict yield surfaces from crystal plasticity simulations
Nascimento, A. W. P. do, Roongta, S., Diehl, M., & Beyerlein, I. J. (2022). A machine learning model to predict yield surfaces from crystal plasticity simulations. International Journal Of Plasticity, 103507.