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

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.)
Frozen Gaussian approximation for 3-D elastic wave equation and seismic tomography
Hateley, J. C., Chai, L., Tong, P., & Yang, X. (2018). Frozen Gaussian approximation for 3-D elastic wave equation and seismic tomography. Geophysical Journal International, 216, 1394\textendash1412. https://doi.org/https://doi.org/10.1093/gji/ggy498
Frozen Gaussian approximation for 3D seismic tomography
Chai, L., Tong, P., & Yang, X. (2018). Frozen Gaussian approximation for 3D seismic tomography. Inverse Problems, 34, 055004. (Original work published 03/2018 C.E.)
High-Performance Architecture Using Fast Dynamic Reconfigurable Accelerators
Yang, P. -L., & Marek-Sadowska, M. (2018). High-Performance Architecture Using Fast Dynamic Reconfigurable Accelerators. Ieee Transactions On Very Large Scale Integration (Vlsi) Systems, 26. https://doi.org/10.1109/TVLSI.2018.2814627 (Original work published 07/2018 C.E.)
How nature covers its bases
Boldissar, S., & De Vries, M. S. (2018). How nature covers its bases. Physical Chemistry Chemical Physics, 20, 9701\textendash9716. (Original work published 03/2018 C.E.)
Hydrogen Bonding Controls the Structural Evolution in Perovskite-Related Hybrid Platinum (IV) Iodides
Evans, H. A., Fabini, D. H., Andrews, J. L., Koerner, M., Preefer, M. B., Wu, G., et al. (2018). Hydrogen Bonding Controls the Structural Evolution in Perovskite-Related Hybrid Platinum (IV) Iodides. Inorganic Chemistry, 57, 10375\textendash10382. https://doi.org/https://doi.org/10.1021/acs.inorgchem.8b01597
Impact of point defects on electrochromism in WO 3
Wang, W., Peelaers, H., Shen, J. -X., Janotti, A., & Van de Walle, C. G. (2018). Impact of point defects on electrochromism in WO 3. Presented at the. International Society for Optics and Photonics. (Original work published 02/2018 C.E.)