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

2021

GNNAdvisor: An Adaptive and Efficient Runtime System for $$GNN$$ Acceleration on GPUs
Wang, Y., Feng, B., Li, G., Li, S., Deng, L., Xie, Y., & Ding, Y. (2021). GNNAdvisor: An Adaptive and Efficient Runtime System for $$GNN$$ Acceleration on GPUs. Presented at the.
Gold-catalysed asymmetric net addition of unactivated propargylic C\textendashH bonds to tethered aldehydes
Li, T., Cheng, X., Qian, P., & Zhang, L. (2021). Gold-catalysed asymmetric net addition of unactivated propargylic C\textendashH bonds to tethered aldehydes. Nature Catalysis, 4, 164\textendash171. https://doi.org/10.1038/s41929-020-00569-8
Gold-catalysed asymmetric net addition of unactivated propargylic C\textendashH bonds to tethered aldehydes
Li, T., Cheng, X., Qian, P., & Zhang, L. (2021). Gold-catalysed asymmetric net addition of unactivated propargylic C\textendashH bonds to tethered aldehydes. Nature Catalysis, 4, 164\textendash171. https://doi.org/10.1038/s41929-020-00569-8
Hole Trapping at Acceptor Impurities and Alloying Elements in AlN
Lyons, J. L., & Van de Walle, C. G. (2021). Hole Trapping at Acceptor Impurities and Alloying Elements in AlN. Physica Status Solidi (Rrl)\Textendashrapid Research Letters. https://doi.org/10.1002/pssr.202100218
How to construct cross-border cooperation? Local border traffic as a mechanism of shaping the external relations of the European Union and Schengen Area from the perspective of constructivism: the case of the Baltic Sea Region
egota, K. \.Z. \k. (2021). How to construct cross-border cooperation? Local border traffic as a mechanism of shaping the external relations of the European Union and Schengen Area from the perspective of constructivism: the case of the Baltic Sea Region. Journal Of Baltic Studies, 1\textendash21. https://doi.org/10.1080/01629778.2021.1925717
Incorporation of Si and Sn donors in β-Ga2O3 through surface reconstructions
Wang, M., Mu, S., & Van de Walle, C. G. (2021). Incorporation of Si and Sn donors in β-Ga2O3 through surface reconstructions. Journal Of Applied Physics, 130, 185703.
Electronic properties of the topological kagome metals YV 6 Sn 6 and GdV 6 Sn 6
Pokharel, G., Teicher, S. M. L., Ortiz, B. R., Sarte, P. M., Wu, G., Peng, S., et al. (2021). Electronic properties of the topological kagome metals YV 6 Sn 6 and GdV 6 Sn 6. Physical Review B, 104, 235139.
Industrial, large-scale model predictive control with structured neural networks
Kumar, P., Rawlings, J. B., & Wright, S. J. (2021). Industrial, large-scale model predictive control with structured neural networks. Computers \& Chemical Engineering, 107291. https://doi.org/10.1016/j.compchemeng.2021.107291
Influence of plastic deformation on the magnetic properties of Heusler MnAu 2 Al
Levin, E. E., Kitchaev, D. A., Eggeler, Y. M., Mayer, J. A., Behera, P., Gianola, D. S., et al. (2021). Influence of plastic deformation on the magnetic properties of Heusler MnAu 2 Al. Physical Review Materials, 5, 014408. https://doi.org/10.1103/PhysRevMaterials.5.014408
Initial Steps in CH4 Pyrolysis on Cu and Ni
Zeng, J., Tarazkar, M., Palmer, C., Gordon, M. J., Metiu, H., & McFarland, E. W. (2021). Initial Steps in CH4 Pyrolysis on Cu and Ni. The Journal Of Physical Chemistry C.
Integrated single-cell sequencing of 5-hydroxymethylcytosine and genomic DNA using scH\&G-seq
Chialastri, A., Wangsanuwat, C., & Dey, S. S. (2021). Integrated single-cell sequencing of 5-hydroxymethylcytosine and genomic DNA using scH\&G-seq. Star Protocols, 2, 101016.

2020

First-principles surface energies for monoclinic Ga2O3 and Al2O3 and consequences for cracking of (Al x Ga1- x) 2O3
Mu, S., Wang, M., Peelaers, H., & Van de Walle, C. G. (2020). First-principles surface energies for monoclinic Ga2O3 and Al2O3 and consequences for cracking of (Al x Ga1- x) 2O3. Apl Materials, 8, 091105. https://doi.org/10.1063/5.0019915
First-principles study of transport in WO 3
Wang, W., Kang, Y., Peelaers, H., Krishnaswamy, K., & Van de Walle, C. G. (2020). First-principles study of transport in WO 3. Physical Review B, 101, 045116. https://doi.org/10.1103/PhysRevB.101.045116
First-principles calculations of hyperfine interaction, binding energy, and quadrupole coupling for shallow donors in silicon
Swift, M. W., Peelaers, H., Mu, S., Morton, J. J. L., & Van de Walle, C. G. (2020). First-principles calculations of hyperfine interaction, binding energy, and quadrupole coupling for shallow donors in silicon. Npj Computational Materials, 6, 1\textendash9. https://doi.org/10.17172/NOMAD/2020.10.21-1.
The First Ultracompact Roche Lobe\textendashFilling Hot Subdwarf Binary
Kupfer, T., Bauer, E. B., Marsh, T. R., van Roestel, J., Bellm, E. C., Burdge, K. B., et al. (2020). The First Ultracompact Roche Lobe\textendashFilling Hot Subdwarf Binary. The Astrophysical Journal, 891, 45. https://doi.org/https://doi.org/10.3847/1538-4357/ab72ff
The First Ultracompact Roche Lobe\textendashFilling Hot Subdwarf Binary
Kupfer, T., Bauer, E. B., Marsh, T. R., van Roestel, J., Bellm, E. C., Burdge, K. B., et al. (2020). The First Ultracompact Roche Lobe\textendashFilling Hot Subdwarf Binary. The Astrophysical Journal, 891, 45. https://doi.org/10.3847/1538-4357/ab72ff
Extreme Deflection of Phase Boundaries and Chain Bridging in A (BA ) n Miktoarm Star Polymers
Lequieu, J., Koeper, T., Delaney, K. T., & Fredrickson, G. H. (2020). Extreme Deflection of Phase Boundaries and Chain Bridging in A (BA ) n Miktoarm Star Polymers. Macromolecules. https://doi.org/10.1021/acs.macromol.9b02254
EVR-CB-004: An Inflated Hot Subdwarf O Star+ Unseen WD Companion in a Compact Binary Discovered with the Evryscope
Ratzloff, J. K., Kupfer, T., Barlow, B. N., Schneider, D., Marsh, T. R., Heber, U., et al. (2020). EVR-CB-004: An Inflated Hot Subdwarf O Star+ Unseen WD Companion in a Compact Binary Discovered with the Evryscope. The Astrophysical Journal, 902, 92. https://doi.org/10.3847/1538-4357/abb5b2
Eliminating redundant computation in noisy quantum computing simulation
Li, G., Ding, Y., & Xie, Y. (2020). Eliminating redundant computation in noisy quantum computing simulation. Presented at the. IEEE.
Embryonic Tissues as Active Foams
Kim, S., Pochitaloff, M., Stooke-Vaughan, G., & As, O. C. \. (2020). Embryonic Tissues as Active Foams. Biorxiv. https://doi.org/10.1101/2020.06.17.157909