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

2018

AuPb2I7: A Narrow Bandgap Au3+ Iodide Semiconductor
Alexander, G. C. B., Fabini, D. H., Seshadri, R., & Kanatzidis, M. G. (2018). AuPb2I7: A Narrow Bandgap Au3+ Iodide Semiconductor. Inorganic Chemistry. (Original work published 01/2018 C.E.)
Bayesian inference of elastic properties with resonant ultrasound spectroscopy
Bales, B., Petzold, L., Goodlet, B. R., Lenthe, W. C., & Pollock, T. M. (2018). Bayesian inference of elastic properties with resonant ultrasound spectroscopy. The Journal Of The Acoustical Society Of America, 143, 71\textendash83. (Original work published 01/2018 C.E.)
Carrier-induced absorption as a mechanism for electrochromism in tungsten trioxide
Wang, W., Peelaers, H., Shen, J. -X., & Van de Walle, C. G. (2018). Carrier-induced absorption as a mechanism for electrochromism in tungsten trioxide. Mrs Communications, 1-6. (Original work published 06/18 C.E.)
Coherent states field theory in supramolecular polymer physics
Fredrickson, G. H., & Delaney, K. T. (2018). Coherent states field theory in supramolecular polymer physics. The Journal Of Chemical Physics, 148, 204904. https://doi.org/https://doi.org/10.1063/1.5027582
Concurrent atomistic-continuum simulations of uniaxial compression of gold nano/submicropillars
Xu, S., Latypov, M. I., & Su, Y. (2018). Concurrent atomistic-continuum simulations of uniaxial compression of gold nano/submicropillars. Philosophical Magazine Letters, 98, 173\textendash182. https://doi.org/https://doi.org/10.1080/09500839.2018.1515506
Creep Behavior of Quinary γ -Strengthened Co-Based Superalloys
Rhein, R. K., Callahan, P. G., Murray, S. P., Stinville, J. -C., Titus, M. S., Van der Ven, A., & Pollock, T. M. (2018). Creep Behavior of Quinary γ -Strengthened Co-Based Superalloys. Metallurgical And Materials Transactions A, 1-9. (Original work published 07/18 C.E.)
Crystallography and substitution patterns in the ZrO2-YTaO4 system
Heinze, S. G., Natarajan, A. R., Levi, C. G., & Van der Ven, A. (2018). Crystallography and substitution patterns in the ZrO2-YTaO4 system. Phyiscal Review Materials, 2, 1-9. (Original work published 07/18 C.E.)
DEFT: A program for operators in EFT
Gripaios, B., & Sutherland, D. (2018). DEFT: A program for operators in EFT. Arxiv, 1-21. (Original work published 06/18 C.E.)
Does a single eigenstate encode the full Hamiltonian?
Garrison, J. R., & Grover, T. (2018). Does a single eigenstate encode the full Hamiltonian?. Physical Review X, 8, 021026. (Original work published 04/2018 C.E.)
Effect of Surfactants on Surface-Induced Denaturation of Proteins: Evidence of an Orientation-Dependent Mechanism
Arsiccio, A., McCarty, J., Pisano, R., & Shea, J. -E. (2018). Effect of Surfactants on Surface-Induced Denaturation of Proteins: Evidence of an Orientation-Dependent Mechanism. The Journal Of Physical Chemistry B, 122, 11390\textendash11399. https://doi.org/https://doi.org/10.1021/acs.jpcb.8b07368
The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations
Grzetic, D. J., Delaney, K. T., & Fredrickson, G. H. (2018). The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations. The Journal Of Chemical Physics, 148, 204903. https://doi.org/https://doi.org/10.1063/1.5025720
Electrostatics of Particle Confinement within Nanochannels: Role of
Sidhu, I. S., Frischknecht, A. L., & Atzberger, P. J. (2018). Electrostatics of Particle Confinement within Nanochannels: Role of. (Original work published 08/2017 C.E.)
Endogenous sample selection: A laboratory study
Esponda, I., & Vespa, E. (2018). Endogenous sample selection: A laboratory study. Quantitative Economics, 9, 183\textendash216. (Original work published 04/2018 C.E.)
Entropy favors heterogeneous structures of networks near the rigidity threshold
Yan, L. (2018). Entropy favors heterogeneous structures of networks near the rigidity threshold. Nature Communications, 9, 1359. (Original work published 04/2018 C.E.)
EvanPhos: a ligand for ppm level Pd-catalyzed Suzuki\textendashMiyaura couplings in either organic solvent or water
Landstrom, E. B., Handa, S., Aue, D. H., Gallou, F., & Lipshutz, B. H. (2018). EvanPhos: a ligand for ppm level Pd-catalyzed Suzuki\textendashMiyaura couplings in either organic solvent or water. Green Chemistry, 3436-3443. (Original work published 04/18 C.E.)
Finite-temperature behavior of a classical spin-orbit-coupled model for $\mathrmYbMgGaO_4$ with and without bond disorder
Parker, E., & Balents, L. (2018). Finite-temperature behavior of a classical spin-orbit-coupled model for $\mathrmYbMgGaO_4$ with and without bond disorder. Phys. Rev. B, 97, 184413. https://doi.org/10.1103/PhysRevB.97.184413 (Original work published May)
First-principles calculations of optical transitions at native defects and impurities in ZnO
Lyons, J. L., Varley, J. B., Janotti, A., & Van de Walle, C. G. (2018). First-principles calculations of optical transitions at native defects and impurities in ZnO. Presented at the. International Society for Optics and Photonics. (Original work published 02/2018 C.E.)
First-principles characterization of defects in WO 3
Wang, W., Peelaers, H., Shen, J. -X., Janotti, A., & Van de Walle, C. G. (2018). First-principles characterization of defects in WO 3. Presented at the. International Society for Optics and Photonics.
First-principles study of direct and indirect optical absorption in BaSnO3
Kang, Y., Peelaers, H., Krishnaswamy, K., & Van de Walle, C. G. (2018). First-principles study of direct and indirect optical absorption in BaSnO3. Applied Physics Letters, 112, 062106. (Original work published 02/2018 C.E.)
Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries
Wang, Y., Lei, H. U. A. N., & Atzberger, P. J. (2018). Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. Applied Mathematics And Mechanics, 39, 125\textendash152. (Original work published 12/2017 C.E.)