Publications

CSC research acknowledged in publications and presentations.

Please remember to continue to acknowledge the use of CSC resources with

 

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

2020

Deep learning seismic substructure detection using the Frozen Gaussian approximation
Hateley, J. C., Roberts, J., Mylonakis, K., & Yang, X. (2020). Deep learning seismic substructure detection using the Frozen Gaussian approximation. Journal Of Computational Physics, 409, 109313. https://doi.org/10.1016/j.jcp.2020.109313
Deep Learning and Self-Consistent Field Theory to Accelerate Polymer Phase Discovery
Xuan, Y., Delaney, K. T., Ceniceros, H. D., & Fredrickson, G. H. (2020). Deep Learning and Self-Consistent Field Theory to Accelerate Polymer Phase Discovery.
Decomposition and embedding in the stochastic GW self-energy
Romanova, M., & Vlcek, V. (2020). Decomposition and embedding in the stochastic GW self-energy. The Journal Of Chemical Physics, 153, 134103. https://doi.org/10.1063/5.0020430
Cs V 3 Sb 5: A Z 2 Topological Kagome Metal with a Superconducting Ground State
Ortiz, B. R., Teicher, S. M. L., Hu, Y., Zuo, J. L., Sarte, P. M., Schueller, E. C., et al. (2020). Cs V 3 Sb 5: A Z 2 Topological Kagome Metal with a Superconducting Ground State. Physical Review Letters, 125, 247002. https://doi.org/10.1103/PhysRevLett.125.247002
Convectively Driven 3D Turbulence in Massive Star Envelopes. I. A 1D Implementation of Diffusive Radiative Transport
Schultz, W. C., Bildsten, L., & Jiang, Y. -F. (2020). Convectively Driven 3D Turbulence in Massive Star Envelopes. I. A 1D Implementation of Diffusive Radiative Transport. The Astrophysical Journal, 902, 67. https://doi.org/10.3847/1538-4357/abb405
Connecting Solute Diffusion to Morphology in Triblock Copolymer Membranes
Howard, M. P., Lequieu, J., Delaney, K. T., Ganesan, V., Fredrickson, G. H., & Truskett, T. M. (2020). Connecting Solute Diffusion to Morphology in Triblock Copolymer Membranes. Macromolecules. https://doi.org/10.1021/acs.macromol.0c00104
Computational screening of magnetocaloric alloys
Garcia, C. A. C., Bocarsly, J. D., & Seshadri, R. (2020). Computational screening of magnetocaloric alloys. Physical Review Materials, 4, 024402. https://doi.org/10.1103/PhysRevMaterials.4.024402
The complex genetic architecture of male mate choice evolution between Drosophila species
Shahandeh, M. P., & Turner, T. L. (2020). The complex genetic architecture of male mate choice evolution between Drosophila species. Heredity, 1\textendash14. https://doi.org/10.1038/s41437-020-0309-9
Band alignments and polarization properties of the Zn-IV-nitrides
Adamski, N. L., Wickramaratne, D., & Van de Walle, C. G. (2020). Band alignments and polarization properties of the Zn-IV-nitrides. Journal Of Materials Chemistry C. https://doi.org/10.1039/D0TC01578D
Absolute chemical potentials for complex molecules in fluid phases: A centroid reference for predicting phase equilibria
Khanna, V., Doherty, M. F., & Peters, B. (2020). Absolute chemical potentials for complex molecules in fluid phases: A centroid reference for predicting phase equilibria. The Journal Of Chemical Physics, 153, 214504. https://doi.org/10.1063/5.0025844
ADD Force Field for Sugars and Polyols: Predicting the Additivity of Protein\textendashOsmolyte Interaction
Arsiccio, A., Ganguly, P., La Cortiglia, L., Shea, J. -E., & Pisano, R. (2020). ADD Force Field for Sugars and Polyols: Predicting the Additivity of Protein\textendashOsmolyte Interaction. The Journal Of Physical Chemistry B, 124, 7779\textendash7790. https://doi.org/10.1021/acs.jpcb.0c05345
Aggregate Hours and Local Projections with Long-Run Restrictions
Nusbaum, C. (2020). Aggregate Hours and Local Projections with Long-Run Restrictions. Available At Ssrn 3472052. https://doi.org/10.2139/ssrn.3472052
Atomic-level calculations and experimental study of dislocations in InSb
Kumar, A., Kedjar, B., Su, Y., Thilly, L., & Beyerlein, I. J. (2020). Atomic-level calculations and experimental study of dislocations in InSb. Journal Of Applied Physics, 127, 135104. https://doi.org/10.1063/1.5139285
Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys
Xu, S., Hwang, E., Jian, W. -R., Su, Y., & Beyerlein, I. J. (2020). Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys. Intermetallics, 124, 106844. https://doi.org/10.1016/j.intermet.2020.106844
Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: A comparative study
Jian, W. -R., Zhang, M., Xu, S., & Beyerlein, I. (2020). Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: A comparative study. Modelling And Simulation In Materials Science And Engineering. https://doi.org/10.1088/1361-651X/ab8358
Catalytic Methane Pyrolysis with Liquid and Vapor Phase Tellurium
Zeng, J., Tarazkar, M., Pennebaker, T., Gordon, M. J., Metiu, H., & McFarland, E. W. (2020). Catalytic Methane Pyrolysis with Liquid and Vapor Phase Tellurium. Acs Catalysis, 10, 8223\textendash8230. https://doi.org/10.1021/acscatal.0c00805
Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al
Xu, S., Mianroodi, J. R., Hunter, A., Svendsen, B., & Beyerlein, I. J. (2020). Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al. https://doi.org/https://doi.org/10.1016/j.ijplas.2020.102689
Charge Density Waves as a Tool for Creating Idealized (Magnetic) Topological Semimetals
Lei, S., Teicher, S. M. L., Topp, A., Cai, K., Lin, J., Rodolakis, F., et al. (2020). Charge Density Waves as a Tool for Creating Idealized (Magnetic) Topological Semimetals. Arxiv Preprint Arxiv:2009.00620. https://doi.org/arXiv:2009.00620
Discovering hierarchies among intermetallic crystal structures
Kolli, S. K., Natarajan, A. R., Thomas, J. C., Pollock, T. M., & Van der Ven, A. (2020). Discovering hierarchies among intermetallic crystal structures. Physical Review Materials, 4, 113604. https://doi.org/10.1103/PhysRevMaterials.4.113604
Catalytic Methane Pyrolysis in Molten Alkali Chloride Salts Containing Iron
Kang, D., Palmer, C., Mannini, D., Rahimi, N., Gordon, M. J., Metiu, H., & McFarland, E. W. (2020). Catalytic Methane Pyrolysis in Molten Alkali Chloride Salts Containing Iron. Acs Catalysis. https://doi.org/10.1021/acscatal.0c01262