Selected Publications

2024

Insights into conformational ensembles of compositionally identical disordered peptidomimetics
Day, E., Cunha, K. C., Zhao, J., DeStefano, A. J., Dodds, J., Melissa, Y., et al. (2024). Insights into conformational ensembles of compositionally identical disordered peptidomimetics. Polymer Chemistry, 15, 2970-2980.
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, 2300500.
Gold (I)-Catalyzed Desymmetrization of Homopropargylic Alcohols via Cycloisomerization: Enantioselective Synthesis of Cyclopentenes Featuring a Quaternary Chiral Center
Kohnke, P., & Zhang, L. (2024). Gold (I)-Catalyzed Desymmetrization of Homopropargylic Alcohols via Cycloisomerization: Enantioselective Synthesis of Cyclopentenes Featuring a Quaternary Chiral Center. Angewandte Chemie International Edition, e202411292.
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.
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.
Pseudospin density wave instability in two-dimensional electron bilayers
Zhu, J., Cookmeyer, T., & Sarma, S. (2024). Pseudospin density wave instability in two-dimensional electron bilayers. Physical Review B, 110, 054405.
Maturing giant kelp develop depth-specific microbiomes
Esaian, S., Bui, A., DiFiore, B., Peters, J., Lepori-Bui, M., Moeller, H., & Wilbanks, E. G. (2024). Maturing giant kelp develop depth-specific microbiomes. Biorxiv, 2024-04.
Room temperature dislocation loop dynamics in body-centered cubic refractory multi-principal element alloys
McNutt, P., Jones, M., Garg, P., & Beyerlein, I. J. (2024). Room temperature dislocation loop dynamics in body-centered cubic refractory multi-principal element alloys. Computational Materials Science, 244, 113280.
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.
Role of stacking fault energy in confined layer slip in nanolaminated Cu
Ji, W., Jian, W. -R., Su, Y., Xu, S., & Beyerlein, I. J. (2024). Role of stacking fault energy in confined layer slip in nanolaminated Cu. Journal Of Materials Science, 59, 4775-4787.
Fundamental Thermodynamic, Kinetic, and Mechanical Properties of Lithium and Its Alloys
Behara, S. S., Thomas, J., & Van der Ven, A. (2024). Fundamental Thermodynamic, Kinetic, and Mechanical Properties of Lithium and Its Alloys. Chemistry Of Materials.
Climate change reduces long-term population benefits from no-take marine protected areas through selective pressures on species movement
Caughman, A., Gaines, S. D., & Bradley, D. (2024). Climate change reduces long-term population benefits from no-take marine protected areas through selective pressures on species movement. Global Change Biology, 30, e17240.
A nuclear jamming transition in vertebrate organogenesis
Kim, S., Amini, R., Yen, S. -T., i\vsil, P., Boutillon, A., Deniz, I., & As, O. C. \. (2024). A nuclear jamming transition in vertebrate organogenesis. Nature Materials, 1-8.
Ancient secretory pathways contributed to the evolutionary origin of an ecologically impactful bioluminescence system
Mesrop, L., Minsky, G., Drummond, M., Goodheart, J. A., Proulx, S. R., & Oakley, T. H. (2024). Ancient secretory pathways contributed to the evolutionary origin of an ecologically impactful bioluminescence system. Biorxiv, 2024-05.
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.
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.
Deformation mechanisms and defect structures in Heusler intermetallic MnCu2Al
Rhodes, B., Mayer, J. A., Xu, S., Lamb, J., Wendorf, J., Echlin, M. L. P., et al. (2024). Deformation mechanisms and defect structures in Heusler intermetallic MnCu2Al. Acta Materialia, 268, 119711.
Fidelity and variability in the interlayer electronic structure of the kagome superconductor CsV 3 Sb 5
Watkins, A., Johrendt, D., Vlcek, V., Wilson, S. D., & Seshadri, R. (2024). Fidelity and variability in the interlayer electronic structure of the kagome superconductor CsV 3 Sb 5. Physical Review Materials, 8, 054204.
Inverse design of pore wall chemistry and topology through active learning of surface group interactions
Jiao, S., & Shell, S. (2024). Inverse design of pore wall chemistry and topology through active learning of surface group interactions. The Journal Of Chemical Physics, 160.
Computation of Overhauser dynamic nuclear polarization processes reveals fundamental correlation between water dynamics, structure, and solvent restructuring entropy
Brown, D., Webber, T., Casey, T., Franck, J., Shell, S., & Han, S. (2024). Computation of Overhauser dynamic nuclear polarization processes reveals fundamental correlation between water dynamics, structure, and solvent restructuring entropy. Physical Chemistry Chemical Physics, 26, 14637-14650.