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

2021

Statistical mechanics of quantum error correcting codes
Li, Y., & Fisher, M. P. A. (2021). Statistical mechanics of quantum error correcting codes. Physical Review B, 103, 104306. https://doi.org/10.1103/PhysRevB.103.104306
Surprising stability of polar (001) surfaces of the Mott insulator GdTiO3
Krishnaswamy, K., Janotti, A., Bjaalie, L., & Van de Walle, C. G. (2021). Surprising stability of polar (001) surfaces of the Mott insulator GdTiO3. Journal Of Vacuum Science \& Technology A: Vacuum, Surfaces, And Films, 39, 063220.
Topological superconductivity in nanowires proximate to a diffusive superconductor\textendashmagnetic-insulator bilayer
Khindanov, A., Alicea, J., Lee, P., Cole, W. S., & Antipov, A. E. (2021). Topological superconductivity in nanowires proximate to a diffusive superconductor\textendashmagnetic-insulator bilayer. Physical Review B, 103, 134506. https://doi.org/10.1103/PhysRevB.103.134506
Tuning magnetic antiskyrmion stability in tetragonal inverse Heusler alloys
Kitchaev, D. A., & Van der Ven, A. (2021). Tuning magnetic antiskyrmion stability in tetragonal inverse Heusler alloys. Physical Review Materials, 5, 124408.
VoRTX: Volumetric 3D reconstruction with transformers for voxelwise view selection and fusion
Stier, N., Rich, A., Sen, P., & Höllerer, T. (2021). VoRTX: Volumetric 3D reconstruction with transformers for voxelwise view selection and fusion. Presented at the. IEEE.

2020

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
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
Nitrogen-Doped graphene coated FeS2 microsphere composite as high-performance anode materials for sodium-ion batteries enhanced by the chemical and structural synergistic effect
Hou, T., Yue, S., Sun, X., Fan, A., Chen, Y., Wang, M., et al. (2020). Nitrogen-Doped graphene coated FeS2 microsphere composite as high-performance anode materials for sodium-ion batteries enhanced by the chemical and structural synergistic effect. Applied Surface Science, 505, 144633. https://doi.org/10.1016/j.apsusc.2019.144633
Multiplicity of dislocation pathways in a refractory multiprincipal element alloy
Wang, F., Balbus, G. H., Xu, S., Su, Y., Shin, J., Rottmann, P. F., et al. (2020). Multiplicity of dislocation pathways in a refractory multiprincipal element alloy. Science, 370, 95\textendash101. https://doi.org/10.1126/science.aba3722
N 2 Phos\textendashan easily made, highly effective ligand designed for ppm level Pd-catalyzed Suzuki\textendashMiyaura cross couplings in water
Akporji, N., Thakore, R. R., Cortes-Clerget, M., Andersen, J., Landstrom, E., Aue, D. H., et al. (2020). N 2 Phos\textendashan easily made, highly effective ligand designed for ppm level Pd-catalyzed Suzuki\textendashMiyaura cross couplings in water. Chemical Science. https://doi.org/10.1039/D0SC00968G
A New Class of Roche Lobe\textendashfilling Hot Subdwarf Binaries
Kupfer, T., Bauer, E. B., Burdge, K. B., van Roestel, J., Bellm, E. C., Fuller, J., et al. (2020). A New Class of Roche Lobe\textendashfilling Hot Subdwarf Binaries. The Astrophysical Journal Letters, 898, L25. https://doi.org/10.3847/2041-8213/aba3c2
A new family of liquid and solid guanidine-based n-type dopants for solution-processed perovskite solar cells
Nakayama, H., Schneider, J. A., Faust, M., Wang, H., de Alaniz, J. R., & Chabinyc, M. L. (2020). A new family of liquid and solid guanidine-based n-type dopants for solution-processed perovskite solar cells. Materials Chemistry Frontiers. https://doi.org/10.1039/d0qm00437e
A new software framework for implementing crystal growth models to materials of any crystallographic complexity
Zhao, Y., Tilbury, C. J., Landis, S., Sun, Y., Li, J., Zhu, P., & Doherty, M. F. (2020). A new software framework for implementing crystal growth models to materials of any crystallographic complexity. Crystal Growth \& Design. https://doi.org/10.1021/acs.cgd.9b01105
Nitrogen pollution interacts with heat stress to increase coral bleaching across the seascape
Donovan, M. K., Adam, T. C., Shantz, A. A., Speare, K. E., Munsterman, K. S., Rice, M. M., et al. (2020). Nitrogen pollution interacts with heat stress to increase coral bleaching across the seascape. Proceedings Of The National Academy Of Sciences, 117, 5351\textendash5357. https://doi.org/10.1073/pnas.1915395117
Operator L\ evy Flight: Light Cones in Chaotic Long-Range Interacting Systems
Zhou, T., Xu, S., Chen, X., Guo, A., & Swingle, B. (2020). Operator L\ evy Flight: Light Cones in Chaotic Long-Range Interacting Systems. Physical Review Letters, 124, 180601. https://doi.org/10.1103/PhysRevLett.124.180601
Performing solvation free energy calculations in LAMMPS using the decoupling approach
Khanna, V., Monroe, J. I., Doherty, M. F., & Peters, B. (2020). Performing solvation free energy calculations in LAMMPS using the decoupling approach. Journal Of Computer-Aided Molecular Design, 1\textendash6. https://doi.org/10.1007/s10822-020-00303-3
Ordering and Structural Transformations in Layered K x CrO2 for K-Ion Batteries
Kaufman, J. L., & Van der Ven, A. (2020). Ordering and Structural Transformations in Layered K x CrO2 for K-Ion Batteries. Chemistry Of Materials, 32, 6392\textendash6400. https://doi.org/10.1021/acs.chemmater.0c01460
Monomer Sequence Effects on Interfacial Width and Mixing in Self-Assembled Diblock Copolymers
Patterson, A. L., Yu, B., Danielsen, S. P. O., Davidson, E. C., Fredrickson, G. H., & Segalman, R. A. (2020). Monomer Sequence Effects on Interfacial Width and Mixing in Self-Assembled Diblock Copolymers. Macromolecules. https://doi.org/10.1021/acs.macromol.9b02426
Numerical Simulation of Finite-Temperature Field Theory for Interacting Bosons
Delaney, K. T., Orland, H., & Fredrickson, G. H. (2020). Numerical Simulation of Finite-Temperature Field Theory for Interacting Bosons. Physical Review Letters, 124, 070601. https://doi.org/10.1103/PhysRevLett.124.070601