Selected Publications

2020

Deep learning seismic substructure detection using the Frozen Gaussian approximation
Hateley, J. C., Roberts, J., Mylonakis, K., & Yang, X. (2020). Deep learning seismic substructure detection using the Frozen Gaussian approximation. Journal Of Computational Physics, 409, 109313. https://doi.org/10.1016/j.jcp.2020.109313
Deep Learning and Self-Consistent Field Theory to Accelerate Polymer Phase Discovery
Xuan, Y., Delaney, K. T., Ceniceros, H. D., & Fredrickson, G. H. (2020). Deep Learning and Self-Consistent Field Theory to Accelerate Polymer Phase Discovery.
Decomposition and embedding in the stochastic GW self-energy
Romanova, M., & Vlcek, V. (2020). Decomposition and embedding in the stochastic GW self-energy. The Journal Of Chemical Physics, 153, 134103. https://doi.org/10.1063/5.0020430
Cs V 3 Sb 5: A Z 2 Topological Kagome Metal with a Superconducting Ground State
Ortiz, B. R., Teicher, S. M. L., Hu, Y., Zuo, J. L., Sarte, P. M., Schueller, E. C., et al. (2020). Cs V 3 Sb 5: A Z 2 Topological Kagome Metal with a Superconducting Ground State. Physical Review Letters, 125, 247002. https://doi.org/10.1103/PhysRevLett.125.247002
Convectively Driven 3D Turbulence in Massive Star Envelopes. I. A 1D Implementation of Diffusive Radiative Transport
Schultz, W. C., Bildsten, L., & Jiang, Y. -F. (2020). Convectively Driven 3D Turbulence in Massive Star Envelopes. I. A 1D Implementation of Diffusive Radiative Transport. The Astrophysical Journal, 902, 67. https://doi.org/10.3847/1538-4357/abb405
Connecting Solute Diffusion to Morphology in Triblock Copolymer Membranes
Howard, M. P., Lequieu, J., Delaney, K. T., Ganesan, V., Fredrickson, G. H., & Truskett, T. M. (2020). Connecting Solute Diffusion to Morphology in Triblock Copolymer Membranes. Macromolecules. https://doi.org/10.1021/acs.macromol.0c00104
Computational screening of magnetocaloric alloys
Garcia, C. A. C., Bocarsly, J. D., & Seshadri, R. (2020). Computational screening of magnetocaloric alloys. Physical Review Materials, 4, 024402. https://doi.org/10.1103/PhysRevMaterials.4.024402
The complex genetic architecture of male mate choice evolution between Drosophila species
Shahandeh, M. P., & Turner, T. L. (2020). The complex genetic architecture of male mate choice evolution between Drosophila species. Heredity, 1\textendash14. https://doi.org/10.1038/s41437-020-0309-9
Band alignments and polarization properties of the Zn-IV-nitrides
Adamski, N. L., Wickramaratne, D., & Van de Walle, C. G. (2020). Band alignments and polarization properties of the Zn-IV-nitrides. Journal Of Materials Chemistry C. https://doi.org/10.1039/D0TC01578D
Absolute chemical potentials for complex molecules in fluid phases: A centroid reference for predicting phase equilibria
Khanna, V., Doherty, M. F., & Peters, B. (2020). Absolute chemical potentials for complex molecules in fluid phases: A centroid reference for predicting phase equilibria. The Journal Of Chemical Physics, 153, 214504. https://doi.org/10.1063/5.0025844
ADD Force Field for Sugars and Polyols: Predicting the Additivity of Protein\textendashOsmolyte Interaction
Arsiccio, A., Ganguly, P., La Cortiglia, L., Shea, J. -E., & Pisano, R. (2020). ADD Force Field for Sugars and Polyols: Predicting the Additivity of Protein\textendashOsmolyte Interaction. The Journal Of Physical Chemistry B, 124, 7779\textendash7790. https://doi.org/10.1021/acs.jpcb.0c05345
Aggregate Hours and Local Projections with Long-Run Restrictions
Nusbaum, C. (2020). Aggregate Hours and Local Projections with Long-Run Restrictions. Available At Ssrn 3472052. https://doi.org/10.2139/ssrn.3472052
Atomic-level calculations and experimental study of dislocations in InSb
Kumar, A., Kedjar, B., Su, Y., Thilly, L., & Beyerlein, I. J. (2020). Atomic-level calculations and experimental study of dislocations in InSb. Journal Of Applied Physics, 127, 135104. https://doi.org/10.1063/1.5139285
Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys
Xu, S., Hwang, E., Jian, W. -R., Su, Y., & Beyerlein, I. J. (2020). Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys. Intermetallics, 124, 106844. https://doi.org/10.1016/j.intermet.2020.106844
Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: A comparative study
Jian, W. -R., Zhang, M., Xu, S., & Beyerlein, I. (2020). Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: A comparative study. Modelling And Simulation In Materials Science And Engineering. https://doi.org/10.1088/1361-651X/ab8358
Catalytic Methane Pyrolysis with Liquid and Vapor Phase Tellurium
Zeng, J., Tarazkar, M., Pennebaker, T., Gordon, M. J., Metiu, H., & McFarland, E. W. (2020). Catalytic Methane Pyrolysis with Liquid and Vapor Phase Tellurium. Acs Catalysis, 10, 8223\textendash8230. https://doi.org/10.1021/acscatal.0c00805
Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al
Xu, S., Mianroodi, J. R., Hunter, A., Svendsen, B., & Beyerlein, I. J. (2020). Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al. https://doi.org/https://doi.org/10.1016/j.ijplas.2020.102689
Charge Density Waves as a Tool for Creating Idealized (Magnetic) Topological Semimetals
Lei, S., Teicher, S. M. L., Topp, A., Cai, K., Lin, J., Rodolakis, F., et al. (2020). Charge Density Waves as a Tool for Creating Idealized (Magnetic) Topological Semimetals. Arxiv Preprint Arxiv:2009.00620. https://doi.org/arXiv:2009.00620
Discovering hierarchies among intermetallic crystal structures
Kolli, S. K., Natarajan, A. R., Thomas, J. C., Pollock, T. M., & Van der Ven, A. (2020). Discovering hierarchies among intermetallic crystal structures. Physical Review Materials, 4, 113604. https://doi.org/10.1103/PhysRevMaterials.4.113604
Catalytic Methane Pyrolysis in Molten Alkali Chloride Salts Containing Iron
Kang, D., Palmer, C., Mannini, D., Rahimi, N., Gordon, M. J., Metiu, H., & McFarland, E. W. (2020). Catalytic Methane Pyrolysis in Molten Alkali Chloride Salts Containing Iron. Acs Catalysis. https://doi.org/10.1021/acscatal.0c01262