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

Ideal simple shear strengths of two HfNbTaTi-based quinary refractory multi-principal element alloys
Xu, S., Jian, W. -R., & Beyerlein, I. J. (2022). Ideal simple shear strengths of two HfNbTaTi-based quinary refractory multi-principal element alloys. Apl Materials, 10, 111107.
Improving the kinetics and dark equilibrium of donor-acceptor Stenhouse adduct by triene backbone design
Peterson, J. A., Stricker, F., & de Alaniz, J. R. (2022). Improving the kinetics and dark equilibrium of donor-acceptor Stenhouse adduct by triene backbone design. Chemical Communications.
Influence of hydrocarbon feed additives on the high-temperature pyrolysis of methane in molten salt bubble column reactors
Palmer, C., Gordon, M. J., Metiu, H., & McFarland, E. W. (2022). Influence of hydrocarbon feed additives on the high-temperature pyrolysis of methane in molten salt bubble column reactors. Reaction Chemistry \& Engineering.
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.
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.
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.
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.
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.
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.