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

Strand-specific single-cell methylomics reveals distinct modes of DNA demethylation dynamics during early mammalian development
Sen, M., Mooijman, D., Boisset, J. -C., Chialastri, A., Popovic, M., Heindryckx, B., et al. (2019). Strand-specific single-cell methylomics reveals distinct modes of DNA demethylation dynamics during early mammalian development. Biorxiv, 804526. https://doi.org/10.1101/804526
Strategies for p-type doping of ZnGeN2
Adamski, N. L., Zhu, Z., Wickramaratne, D., & Van de Walle, C. G. (2019). Strategies for p-type doping of ZnGeN2. Applied Physics Letters, 114. https://doi.org/10.1063/1.5063581 (Original work published 01/2019 C.E.)
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
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
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
Tuning Optical Properties of Conjugated Molecules by Lewis Acids: Insights from Electronic Structure Modeling
Phan, H., Kelly, T. J., Zhugayevych, A., Bazan, G. C., Nguyen, T. -Q., Jarvis, E. A., & Tretiak, S. (2019). Tuning Optical Properties of Conjugated Molecules by Lewis Acids: Insights from Electronic Structure Modeling. The Journal Of Physical Chemistry Letters. https://doi.org/10.1021/acs.jpclett.9b01572
Uncertainty Estimates for SeaSonde HF Radar Ocean Current Observations
Emery, B., & Washburn, L. (2019). Uncertainty Estimates for SeaSonde HF Radar Ocean Current Observations. Journal Of Atmospheric And Oceanic Technology, 36, 231\textendash247. https://doi.org/https://doi.org/10.1175/JTECH-D-18-0104.1
Understanding intercalation compounds for sodium-ion batteries and beyond
Kaufman, J. L., ci\=ut\.e, J. V. \v, Kolli, S. K., Goiri, J. G., & Van der Ven, A. (2019). Understanding intercalation compounds for sodium-ion batteries and beyond. Philosophical Transactions Of The Royal Society A, 377, 20190020. https://doi.org/10.1098/rsta.2019.0020
Weyl nodes and magnetostructural instability in antiperovskite Mn3ZnC
Teicher, S. M. L., Svenningsson, I. K., Schoop, L. M., & Seshadri, R. (2019). Weyl nodes and magnetostructural instability in antiperovskite Mn3ZnC. Apl Materials, 7, 121104. https://doi.org/10.1063/1.5129689
Demographic obstacles to European growth
Cooley, T. F., Henriksen, E., & Nusbaum, C. (2019). Demographic obstacles to European growth.
Demographic obstacles to European growth
Cooley, T. F., Henriksen, E., & Nusbaum, C. (2019). Demographic obstacles to European growth.

2018

Accordion Strain Accommodation Mechanism within the Epitaxially Constrained Electrode
Kim, S. J., Chang, D., Zhang, K., Graham, G., Van der Ven, A., & Pan, X. (2018). Accordion Strain Accommodation Mechanism within the Epitaxially Constrained Electrode. Acs Energy Letters, 3, 1848-1853. (Original work published 07/18 C.E.)
Accurate and efficient band-offset calculations from density functional theory
Weston, L., Tailor, H., Krishnaswamy, K., Bjaalie, L., & Van de Walle, C. G. (2018). Accurate and efficient band-offset calculations from density functional theory. Computational Materials Science, 151, 174\textendash180. (Original work published 08/2018 C.E.)
Analysis of Evolutionarily Independent Protein-RNA Complexes Yields a Criterion to Evaluate the Relevance of Prebiotic Scenarios
Blanco, C., Bayas, M., Yan, F., & Chen, I. A. (2018). Analysis of Evolutionarily Independent Protein-RNA Complexes Yields a Criterion to Evaluate the Relevance of Prebiotic Scenarios. Current Biology, 28, 526\textendash537. (Original work published 02/2018 C.E.)
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.)