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

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.
Spontaneous tilt of single-clamped thermal elastic sheets
Chen, Z., Wan, D., & Bowick, M. J. (2022). Spontaneous tilt of single-clamped thermal elastic sheets. Physical Review Letters, 128, 028006.
Stacking Faults Assist Lithium-Ion Conduction in a Halide-Based Superionic Conductor
Sebti, E., Evans, H. A., Chen, H., Richardson, P. M., White, K. M., Giovine, R., et al. (2022). Stacking Faults Assist Lithium-Ion Conduction in a Halide-Based Superionic Conductor. Journal Of The American Chemical Society.
Stochastic cRPA calculations of screened interactions in graphene moire states at high pressures
Romanova, M., & Vlcek, V. (2022). Stochastic cRPA calculations of screened interactions in graphene moire states at high pressures. Bulletin Of The American Physical Society.
Stochastic many-body calculations of moir\ e states in twisted bilayer graphene at high pressures
Romanova, M., & Vlcek, V. (2022). Stochastic many-body calculations of moir\ e states in twisted bilayer graphene at high pressures. Npj Computational Materials, 8, 1\textendash10.
A sustainable synthesis of the SARS-CoV-2 Mpro inhibitor nirmatrelvir, the active ingredient in Paxlovid
Kincaid, J. R. A., Caravez, J. C., Iyer, K. S., Kavthe, R. D., Fleck, N., Aue, D. H., & Lipshutz, B. H. (2022). A sustainable synthesis of the SARS-CoV-2 Mpro inhibitor nirmatrelvir, the active ingredient in Paxlovid. Communications Chemistry, 5, 1\textendash7.
Synthetic control of structure and conduction properties in Na\textendashY\textendashZr\textendashCl solid electrolytes
Sebti, E., Qi, J., Richardson, P. M., Ridley, P., Wu, E. A., Banerjee, S., et al. (2022). Synthetic control of structure and conduction properties in Na\textendashY\textendashZr\textendashCl solid electrolytes. Journal Of Materials Chemistry A, 10, 21565\textendash21578.
Tachykinin Neuropeptides and Amyloid β (25\textendash35) Assembly: Friend or Foe?
Liu, X., Ganguly, P., Jin, Y., Jhatro, M. J., Shea, J. -E., Buratto, S. K., & Bowers, M. T. (2022). Tachykinin Neuropeptides and Amyloid β (25\textendash35) Assembly: Friend or Foe?. Journal Of The American Chemical Society, 144, 14614\textendash14626.
Thick interface size effect on dislocation transmission in nanolaminates
Xu, S., Cheng, J. Y., Mara, N. A., & Beyerlein, I. J. (2022). Thick interface size effect on dislocation transmission in nanolaminates. Presented at the. IOP Publishing.
Topological surface states and flat bands in the kagome superconductor CsV3Sb5
Hu, Y., Teicher, S. M. L., Ortiz, B. R., Luo, Y., Peng, S., Huai, L., et al. (2022). Topological surface states and flat bands in the kagome superconductor CsV3Sb5. Science Bulletin, 67, 495\textendash500.
A Transfer Free Energy Based Implicit Solvent Model for Protein Simulations in Solvent Mixtures: Urea-Induced Denaturation as a Case Study
Arsiccio, A., Ganguly, P., & Shea, J. -E. (2022). A Transfer Free Energy Based Implicit Solvent Model for Protein Simulations in Solvent Mixtures: Urea-Induced Denaturation as a Case Study. The Journal Of Physical Chemistry B.
Transitions in the morphology and critical stresses of gliding dislocations in multiprincipal element alloys
Fey, L. T. W., Xu, S., Su, Y., Hunter, A., & Beyerlein, I. J. (2022). Transitions in the morphology and critical stresses of gliding dislocations in multiprincipal element alloys. Physical Review Materials, 6, 013605.
Transport in a kicked Aubry-Andr\ e Harper model
Pagett, J., Shimasaki, T., Prichard, M., Kondakci, H., Bai, Y., Dotti, P., et al. (2022). Transport in a kicked Aubry-Andr\ e Harper model. Bulletin Of The American Physical Society.
Unlocking New Redox Activity in Alluaudite Cathodes through Compositional Design
Wu, V. C., Giovine, R., Foley, E. E., Finzel, J., Balasubramanian, M., Sebti, E., et al. (2022). Unlocking New Redox Activity in Alluaudite Cathodes through Compositional Design. Chemistry Of Materials.
All-digital LoS MIMO with low-precision analog-to-digital conversion
Sezer, A. D., & Madhow, U. (2022). All-digital LoS MIMO with low-precision analog-to-digital conversion. Ieee Transactions On Wireless Communications, 21, 5600-5613.
Adaptable physics-based super-resolution for electron backscatter diffraction maps
Jangid, D. K., Brodnik, N. R., Goebel, M. G., Khan, A., Majeti, S. S., Echlin, M. L. P., et al. (2022). Adaptable physics-based super-resolution for electron backscatter diffraction maps. Npj Computational Materials, 8, 255.
Direct free energy evaluation of classical and quantum many-body systems via field-theoretic simulation
Fredrickson, G. H., & Delaney, K. T. (2022). Direct free energy evaluation of classical and quantum many-body systems via field-theoretic simulation. Proceedings Of The National Academy Of Sciences, 119, e2201804119.
Porous Media Microstructure Determines the Diffusion of Active Matter: Experiments and Simulations
Modica, K. J., Xi, Y., & Takatori, S. C. (2022). Porous Media Microstructure Determines the Diffusion of Active Matter: Experiments and Simulations. Frontiers In Physics, 10, 232.
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, 55, 9324-9333.