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

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.
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.
3D analogs of square-net nodal line semimetals: band topology of cubic LaIn3
Teicher, S. M. L., Linnartz, J. F., Singha, R., Pizzirani, D., Klemenz, S., Wiedmann, S., et al. (2022). 3D analogs of square-net nodal line semimetals: band topology of cubic LaIn3. Chemistry Of Materials, 34, 4446-4455.