Selected Publications

2024

Solute-solute interactions in dilute Nb-XO alloys from first principles
Reynolds, C., Pollock, T. M., & Van der Ven, A. (2024). Solute-solute interactions in dilute Nb-XO alloys from first principles. Acta Materialia, 266, 119621.
Preserving Positivity: Developments in Density-Explicit Field-Theoretic Simulations
Quah, T., Shen, K., Delaney, K., & Fredrickson, G. (2024). Preserving Positivity: Developments in Density-Explicit Field-Theoretic Simulations. Bulletin Of The American Physical Society.
The Asteroseismological Richness of RCB and dLHdC Stars
Wong, T. L. S., & Bildsten, L. (2024). The Asteroseismological Richness of RCB and dLHdC Stars. The Astrophysical Journal, 962, 20.
Antiphase boundaries in B 2 intermetallics: Proximate structures, formation energies, and chemical stability
Mayer, J. A., Pollock, T. M., Vamsi, K. V., & Seshadri, R. (2024). Antiphase boundaries in B 2 intermetallics: Proximate structures, formation energies, and chemical stability. Physical Review Materials, 8, 013610.
Transition Metal Impurities as Shallow Donors in $\beta$-Ga2O3
Karbasizadeh, S., Mu, S., Turiansky, M. E., & Van de Walle, C. G. (2024). Transition Metal Impurities as Shallow Donors in $\beta$-Ga2O3. Physica Status Solidi (Rrl)&Mdash;Rapid Research Letters, 18, 2300500.
Importance of Short-Range Order in Governing Thin Film Morphology and Electronic Properties of Polymeric Organic Semiconductors
Seifrid, M., Karki, A., Wakidi, H., Vezin, H. \, Welton, C., Bazan, G. C., et al. (2024). Importance of Short-Range Order in Governing Thin Film Morphology and Electronic Properties of Polymeric Organic Semiconductors. Chemistry Of Materials.
A morphological basis for path-dependent evolution of visual systems
Varney, R., Speiser, D. I., Cannon, J. T., Aguilar, M., Eernisse, D., & Oakley, T. H. (2024). A morphological basis for path-dependent evolution of visual systems. Science, 383, 983-987.
Gold-Catalyzed Homo/Heterodimerization of Terminal Alkynes Facilitated by Metal—Ligand Cooperation
Wu, X., & Zhang, L. (2024). Gold-Catalyzed Homo/Heterodimerization of Terminal Alkynes Facilitated by Metal—Ligand Cooperation. Organic Letters, 26, 5736-5740.
Coexistence of antiferrodistortive and polar order in a superconducting SrTi O 3 film
Zhu, G., Hallett, A., Combs, N., Jeong, H., Genc, A., Harter, J. W., & Stemmer, S. (2024). Coexistence of antiferrodistortive and polar order in a superconducting SrTi O 3 film. Physical Review Materials, 8, L051801.
Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in Pyrochlore-like $\lambda$-RhO2
Chamorro, J., Zuo, J. L., Bassey, E., Watkins, A., Zhu, G., Zohar, A., et al. (2024). Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in Pyrochlore-like $\lambda$-RhO2. Chemistry Of Materials.
Q-RBSA: high-resolution 3D EBSD map generation using an efficient quaternion transformer network
Jangid, D. K., Brodnik, N. R., Echlin, M. L. P., Gudavalli, C., Levenson, C., Pollock, T. M., et al. (2024). Q-RBSA: high-resolution 3D EBSD map generation using an efficient quaternion transformer network. Npj Computational Materials, 10, 27.
Nanoscale water—polymer interactions tune macroscopic diffusivity of water in aqueous poly (ethylene oxide) solutions
Moon, J., Webber, T., Brown, D. R., Richardson, P. M., Casey, T., Segalman, R. A., et al. (2024). Nanoscale water—polymer interactions tune macroscopic diffusivity of water in aqueous poly (ethylene oxide) solutions. Chemical Science.
Q-RBSA: high-resolution 3D EBSD map generation using an efficient quaternion transformer network
Jangid, D. K., Brodnik, N. R., Echlin, M. L. P., Gudavalli, C., Levenson, C., Pollock, T. M., et al. (2024). Q-RBSA: high-resolution 3D EBSD map generation using an efficient quaternion transformer network. Npj Computational Materials, 10, 27.
Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in Pyrochlore-like $\lambda$-RhO2
Chamorro, J., Zuo, J. L., Bassey, E., Watkins, A., Zhu, G., Zohar, A., et al. (2024). Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in Pyrochlore-like $\lambda$-RhO2. Chemistry Of Materials.
Data-driven texture design for reducing elastic and plastic anisotropy in titanium alloys
Ahmadikia, B., Paraskevas, O., Van Hyning, W., Hestroffer, J., Beyerlein, I. J., & Thrampoulidis, C. (2024). Data-driven texture design for reducing elastic and plastic anisotropy in titanium alloys. Acta Materialia, 265, 119585.
Nanoscale water—polymer interactions tune macroscopic diffusivity of water in aqueous poly (ethylene oxide) solutions
Moon, J., Webber, T., Brown, D. R., Richardson, P. M., Casey, T., Segalman, R. A., et al. (2024). Nanoscale water—polymer interactions tune macroscopic diffusivity of water in aqueous poly (ethylene oxide) solutions. Chemical Science.
Analysis of the high cracking resistance of a Co Ni superalloy during laser additive manufacturing
Lamb, J., Pusch, K., Polonsky, A., Forsik, S. \, Zhou, N., Dicus, A., et al. (2024). Analysis of the high cracking resistance of a Co Ni superalloy during laser additive manufacturing. Scripta Materialia, 239, 115770.

2023

Geometric Dynamic Variational Autoencoders for Learning Nonlinear Dynamics
Lopez, R., & Atzberger, P. (2023). Geometric Dynamic Variational Autoencoders for Learning Nonlinear Dynamics. Bulletin Of The American Physical Society.
Multiscale modeling of solute diffusion in triblock copolymer membranes
Cooper, A. J., Howard, M. P., Kadulkar, S., Zhao, D., Delaney, K. T., Ganesan, V., et al. (2023). Multiscale modeling of solute diffusion in triblock copolymer membranes. The Journal Of Chemical Physics, 158, 024905.
Phase-field simulations of morphology development in reactive polymer blending
Sengupta, R., Tikekar, M. D., Raj, J., Delaney, K. T., Villet, M. C., & Fredrickson, G. H. (2023). Phase-field simulations of morphology development in reactive polymer blending. Journal Of Rheology, 67, 1\textendash14.