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

2019

Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials
Radin, M. D., Vinckeviciute, J., Seshadri, R., & Van der Ven, A. (2019). Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials. Nature Energy, 4, 639\textendash646. https://doi.org/10.1038/s41560-019-0439-6
Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials
Radin, M. D., Vinckeviciute, J., Seshadri, R., & Van der Ven, A. (2019). Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials. Nature Energy, 1. https://doi.org/10.1038/s41560-019-0439-6
Mass-transfer driven spinodal decomposition in a ternary polymer solution
Tree, D. R., Santos, L. F. D., Wilson, C. B., Scott, T. R., Garcia, J. U., & Fredrickson, G. H. (2019). Mass-transfer driven spinodal decomposition in a ternary polymer solution. Soft Matter. https://doi.org/10.1039/C9SM00355J
Measurement-driven entanglement transition in hybrid quantum circuits
Li, Y., Chen, X., & Fisher, M. P. A. (2019). Measurement-driven entanglement transition in hybrid quantum circuits. Physical Review B, 100, 134306. https://doi.org/10.1103/PhysRevB.100.134306
Methane Pyrolysis with a Molten Cu\textendashBi Alloy Catalyst
Palmer, C., Tarazkar, M., Kristoffersen, H. H., Gelinas, J., Gordon, M. J., McFarland, E. W., & Metiu, H. (2019). Methane Pyrolysis with a Molten Cu\textendashBi Alloy Catalyst. Acs Catalysis. https://doi.org/10.1021/acscatal.9b01833
Miktoarm Stars via Grafting-Through Copolymerization: Self-Assembly and the Star-to-Bottlebrush Transition
Levi, A. E., Lequieu, J., Horne, J. D., Bates, M. W., Ren, J. M., Delaney, K. T., et al. (2019). Miktoarm Stars via Grafting-Through Copolymerization: Self-Assembly and the Star-to-Bottlebrush Transition. Macromolecules. https://doi.org/10.1021/acs.macromol.8b02321
The Mitochondrial Peptide Humanin Targets, but does not Denature Amyloid Oligomers in Type II Diabetes
Levine, Z. A., Teranishi, K., Okada, A. K., Langen, R., & Shea, J. -E. (2019). The Mitochondrial Peptide Humanin Targets, but does not Denature Amyloid Oligomers in Type II Diabetes. Journal Of The American Chemical Society. https://doi.org/10.1021/jacs.9b04995
Modeling magnetic evolution and exchange hardening in disordered magnets: The example of Mn 1- x Fe x Ru 2 Sn Heusler alloys
Decolvenaere, E., Levin, E., Seshadri, R., & Van der Ven, A. (2019). Modeling magnetic evolution and exchange hardening in disordered magnets: The example of Mn 1- x Fe x Ru 2 Sn Heusler alloys. Physical Review Materials, 3, 104411. https://doi.org/10.1103/PhysRevMaterials.3.104411
Molecular design of self-coacervation phenomena in block polyampholytes
Danielsen, S. P. O., McCarty, J., Shea, J. -E., Delaney, K. T., & Fredrickson, G. H. (2019). Molecular design of self-coacervation phenomena in block polyampholytes. Proceedings Of The National Academy Of Sciences, 116, 8224\textendash8232. https://doi.org/doi/10.1073/pnas.1900435116
Multiscale network characterization of the strength and robustness of trabecular bone
Nguyen, C. (2019). Multiscale network characterization of the strength and robustness of trabecular bone. https://doi.org/10.1103/PhysRevLett.125.038003
Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions
Lin, Y., McCarty, J., Rauch, J. N., Delaney, K. T., Kosik, K. S., Fredrickson, G. H., et al. (2019). Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions. Elife, 8, e42571. https://doi.org/10.7554/eLife.42571
Optimized Phase Field Model for Diblock Copolymer Melts
Liu, J., ia-Cervera, C. J. G. \ \, Delaney, K. T., & Fredrickson, G. H. (2019). Optimized Phase Field Model for Diblock Copolymer Melts. Macromolecules, 52, 2878\textendash2888. https://doi.org/10.1021/acs.macromol.9b00194
Optimizing n-type doping of ZnGeN 2 and ZnSiN 2
Adamski, N. L., Zhu, Z., Wickramaratne, D., & Van de Walle, C. G. (2019). Optimizing n-type doping of ZnGeN 2 and ZnSiN 2. Physical Review B, 100, 155206. https://doi.org/10.1103/PhysRevB.100.155206
Origins of significant reduction of lattice thermal conductivity in graphene allotropes
Choudhry, U., Yue, S., & Liao, B. (2019). Origins of significant reduction of lattice thermal conductivity in graphene allotropes. Physical Review B, 100, 165401. https://doi.org/10.1103/PhysRevB.100.165401
Phase-field-based calculations of the disregistry fields of static extended dislocations in FCC metals
Xu, S., Mianroodi, J. R., Hunter, A., Beyerlein, I. J., & Svendsen, B. (2019). Phase-field-based calculations of the disregistry fields of static extended dislocations in FCC metals. Philosophical Magazine, 99, 1400\textendash1428. https://doi.org/https://doi.org/10.1080/14786435.2019.1582850
Phonon-and charged-impurity-assisted indirect free-carrier absorption in Ga 2 O 3
Peelaers, H., & Van de Walle, C. G. (2019). Phonon-and charged-impurity-assisted indirect free-carrier absorption in Ga 2 O 3. Physical Review B, 100, 081202. https://doi.org/10.1103/PhysRevB.100.081202
A probabilistic framework for cellular lineage reconstruction using single-cell 5-hydroxymethylcytosine sequencing
Wangsanuwat, C., Aldeguer, J. F., Rivron, N. C., & Dey, S. S. (2019). A probabilistic framework for cellular lineage reconstruction using single-cell 5-hydroxymethylcytosine sequencing. Biorxiv, 739300. https://doi.org/10.1101/739300
Theoretical prediction of an isotropic to nematic phase transition in bottlebrush homopolymer melts
Panagiotou, E., Delaney, K. T., & Fredrickson, G. H. (2019). Theoretical prediction of an isotropic to nematic phase transition in bottlebrush homopolymer melts. The Journal Of Chemical Physics, 151, 094901. https://doi.org/10.1063/1.5114698
Towards understanding the doping mechanism of organic semiconductors by Lewis acids
Yurash, B., Cao, D. X., Brus, V., Leifert, D., Wang, M., Dixon, A., et al. (2019). Towards understanding the doping mechanism of organic semiconductors by Lewis acids. Nature Materials, 18, 1327\textendash1334. https://doi.org/10.1038/s41563-019-0479-0
Top-down Enrichment Guides in Formation of Synthetic Microbial Consortia for Biomass Degradation
Gilmore, S. P., Lankiewicz, T. S., Wilken, S. E., Brown, J. L., Sexton, J. A., Henske, J. K., et al. (2019). Top-down Enrichment Guides in Formation of Synthetic Microbial Consortia for Biomass Degradation. Acs Synthetic Biology. https://doi.org/10.1021/acssynbio.9b00271