Selected Publications

2020

Digital design of crystalline solids
Landis, S., Zhao, Y., & Doherty, M. F. (2020). Digital design of crystalline solids. Computers \& Chemical Engineering, 133, 106637. https://doi.org/10.1016/j.compchemeng.2019.106637
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
Heightened Cold-Denaturation of Proteins at the Ice-Water Interface
Arsiccio, A., McCarty, J., Pisano, R., & Shea, J. -E. (2020). Heightened Cold-Denaturation of Proteins at the Ice-Water Interface. Journal Of The American Chemical Society. https://doi.org/10.1021/jacs.9b13454
Grafting metal complexes onto amorphous supports: from elementary steps to catalyst site populations via kernel regression
Khan, S. A., Vandervelden, C. A., Scott, S. L., & Peters, B. (2020). Grafting metal complexes onto amorphous supports: from elementary steps to catalyst site populations via kernel regression. Reaction Chemistry \& Engineering, 5, 66\textendash76. https://doi.org/10.1039/C9RE00357F
Frank-Read source operation in six body-centered cubic refractory metals
Xu, S., Su, Y., Smith, L. T. W., & Beyerlein, I. J. (2020). Frank-Read source operation in six body-centered cubic refractory metals. Journal Of The Mechanics And Physics Of Solids, 104017. https://doi.org/10.1016/j.jmps.2020.104017
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
Entanglement Membrane in Chaotic Many-Body Systems
Zhou, T., & Nahum, A. (2020). Entanglement Membrane in Chaotic Many-Body Systems. Physical Review X, 10, 031066. https://doi.org/10.1103/PhysRevX.10.031066
Engineering quantum-coherent defects: the role of substrate miscut in chemical vapor deposition diamond growth
Meynell, S. A., McLellan, C. A., Hughes, L. B., Mates, T., Mukherjee, K., & Jayich, A. C. B. (2020). Engineering quantum-coherent defects: the role of substrate miscut in chemical vapor deposition diamond growth. Arxiv Preprint Arxiv:2005.05866. https://doi.org/10.1063/5.0029715
End-to-End Distance Probability Distributions of Dilute Poly (ethylene oxide) in Aqueous Solution
Sherck, N., Webber, T., Brown, D. R., Keller, T., Barry, M., DeStefano, A., et al. (2020). End-to-End Distance Probability Distributions of Dilute Poly (ethylene oxide) in Aqueous Solution. Journal Of The American Chemical Society. https://doi.org/10.1021/jacs.0c08709
Dry reforming of methane catalysed by molten metal alloys
Palmer, C., Upham, C., Smart, S., Gordon, M. J., Metiu, H., & McFarland, E. W. (2020). Dry reforming of methane catalysed by molten metal alloys. Nature Catalysis, 3, 83\textendash89. https://doi.org/10.1038/s41929-019-0416-2
Effect of an electric field on the stability of binary dielectric fluid mixtures
Martin, J. M., Delaney, K. T., & Fredrickson, G. H. (2020). Effect of an electric field on the stability of binary dielectric fluid mixtures. The Journal Of Chemical Physics, 152, 234901. https://doi.org/10.1063/5.0010405
Duet: Boosting deep neural network efficiency on dual-module architecture
Liu, L., Qu, Z., Deng, L., Tu, F., Li, S., Hu, X., et al. (2020). Duet: Boosting deep neural network efficiency on dual-module architecture. Presented at the. IEEE.
Dueling Backbones: Comparing Peptoid and Peptide Analogues of a Mussel Adhesive Protein
Wonderly, W. R., Cristiani, T. R., Cunha, K. C., Degen, G. D., Shea, J. -E., & Waite, H. (2020). Dueling Backbones: Comparing Peptoid and Peptide Analogues of a Mussel Adhesive Protein. Macromolecules, 53, 6767\textendash6779. https://doi.org/10.1021/acs.macromol.9b02715
Effects of Counter-Ion Size on Delocalization of Carriers and Stability of Doped Semiconducting Polymers
Thomas, E. M., Peterson, K. A., Balzer, A. H., Rawlings, D., Stingelin, N., Segalman, R. A., & Chabinyc, M. L. (2020). Effects of Counter-Ion Size on Delocalization of Carriers and Stability of Doped Semiconducting Polymers. Advanced Electronic Materials, 2000595. https://doi.org/10.1002/aelm.202000595