Selected Publications

2026

Interleaved bond frustration in a triangular lattice antiferromagnet
Alvarado, S. J., Rout, D., Hielscher, J., Schwarz, S., Benyacko, C., Stone, M. B., et al. (2026). Interleaved bond frustration in a triangular lattice antiferromagnet. Nature Materials, 25, 65-72.
Consistency of spin effects between numerical relativity and perturbation theory for inspiraling comparable-mass black hole binaries
Islam, T., Khanna, G., & Field, S. (2026). Consistency of spin effects between numerical relativity and perturbation theory for inspiraling comparable-mass black hole binaries. Physical Review D, 113, L121503.
Characterizing the Effect of Sodium Concentration in NaSICON
Wang, C., Wolfenstine, J., Cheetham, A. K., & Sakamoto, J. (2026). Characterizing the Effect of Sodium Concentration in NaSICON. Chemistry Of Materials.
Creation of depth-confined, shallow nitrogen-vacancy centers in diamond with tunable density
Wyatt, L., Parthasarathy, S., Kantor, I., Kim, C., Chen, L., Morrison, T., et al. (2026). Creation of depth-confined, shallow nitrogen-vacancy centers in diamond with tunable density. Applied Physics Letters, 128.
Coupled infrared imaging and multiphysics modeling reconstruct three-dimensional solidification dynamics during metal laser melting
Kumar, V., Mullin, K., Park, H., Gerigk, M., Bresk, A., Pollock, T. M., & Zhu, Y. (2026). Coupled infrared imaging and multiphysics modeling reconstruct three-dimensional solidification dynamics during metal laser melting. Communications Materials.
Too Much of a Good Thing? Thermodynamic Limits of Supramolecular Polymer Compatibilizers
Balzer, C., Sun, D., & Fredrickson, G. H. (2026). Too Much of a Good Thing? Thermodynamic Limits of Supramolecular Polymer Compatibilizers. Acs Macro Letters.
Statistical Bottlebrushes: Synthetically Accessible Substitutes for Miktoarm Star Polymers
Chen, D., Blankenship, J. R., Zhu, Y., Albanese, K. R., Eom, T., Callan, D. H., et al. (2026). Statistical Bottlebrushes: Synthetically Accessible Substitutes for Miktoarm Star Polymers. Macromolecules, 59, 9660-9667.
Enhancing Thermal Conductivity Switching in a Bulk Ferroelectric by Defect Engineering
Zhang, F., Rui, G., Quan, Y., Adajian, S., Delmont, M., Zhang, Q. M., & Liao, B. (2026). Enhancing Thermal Conductivity Switching in a Bulk Ferroelectric by Defect Engineering. Chemistry Of Materials, 38, 5539-5549.
Abstract 2183 Probing aggregation pathways of α-synuclein NAC61–80 through enhanced-sampling molecular dynamics
Zhang, A., Ganguly, P., & Shea, J. -E. (2026). Abstract 2183 Probing aggregation pathways of α-synuclein NAC61–80 through enhanced-sampling molecular dynamics. Journal Of Biological Chemistry, 302.
2D Small Hole Polarons in Ga2O3
Peelaers, H., Varley, J. B., & Van de Walle, C. G. (2026). 2D Small Hole Polarons in Ga2O3. Nano Letters.

2025

stagg:: A data pre-processing R package for climate impacts analysis
Liddell, T., Boser, A., Orofino, S., Mangin, T., & Carleton, T. (2025). stagg:: A data pre-processing R package for climate impacts analysis. Environmental Modelling \& Software, 183, 106202.
Tunably polarized driving light controls the phase diagram of one-dimensional quasicrystals and two-dimensional quantum Hall matter
Bai, Y., & Weld, D. M. (2025). Tunably polarized driving light controls the phase diagram of one-dimensional quasicrystals and two-dimensional quantum Hall matter. Physical Review B, 111, 115163.
First-Principles Statistical Mechanics Study of Magnetic Fluctuations and Order—Disorder in the Spinel LiNi0. 5Mn1. 5O4 Cathode
Ponte, G., Behara, S. S., Bassey, E., ement, R. ele J. C. \, & Van der Ven, A. (2025). First-Principles Statistical Mechanics Study of Magnetic Fluctuations and Order—Disorder in the Spinel LiNi0. 5Mn1. 5O4 Cathode. Chemistry Of Materials, 37, 1835-1846.
A versatile machine learning workflow for high-throughput analysis of supported metal catalyst particles
Genc, A., Marlowe, J., Jalil, A., Belzberg, D., Kovarik, L., & Christopher, P. (2025). A versatile machine learning workflow for high-throughput analysis of supported metal catalyst particles. Ultramicroscopy, 271, 114116.
Oxygen impurities in AlN and their impact on optical absorption
Yan, Q., Lyons, J. L., Gordon, L., Janotti, A., & Van de Walle, C. G. (2025). Oxygen impurities in AlN and their impact on optical absorption. Applied Physics Letters, 126.
The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics
Behara, S. S., & Van der Ven, A. (2025). The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics. Acs Energy Letters, 10, 1772-1778.
First-Principles Study of Twin Boundaries and Stacking Faults in $\beta$-Ga2O3
Wang, M., Mu, S., Speck, J. S., & Van de Walle, C. G. (2025). First-Principles Study of Twin Boundaries and Stacking Faults in $\beta$-Ga2O3. Advanced Materials Interfaces, 12, 2300318.
Simulations of Eccentricity Growth in Compact Binary Accretion Disks with Magnetohydrodynamic Turbulence
Ohana, M., Jiang, Y. -F., Blaes, O., & Oyang, B. (2025). Simulations of Eccentricity Growth in Compact Binary Accretion Disks with Magnetohydrodynamic Turbulence. The Astrophysical Journal, 979, 128.
Predicting the solvent effect on crystal morphology via quantum mechanical methods
Zhao, Y., Gee, R., & Doherty, M. F. (2025). Predicting the solvent effect on crystal morphology via quantum mechanical methods. Aiche Journal, e18766.
Estimating the Footprint of Artisanal Mining in Africa
Christensen, D., Carleton, T., Rolf, E., Molitor, C., Biswas, S., Yan, K., & Blair, G. (2025). Estimating the Footprint of Artisanal Mining in Africa.