Selected Publications

2020

xGFM: Recovering convergence of fluxes in the ghost fluid method
Egan, R., & Gibou, F. \ ed\ eric. (2020). xGFM: Recovering convergence of fluxes in the ghost fluid method. https://doi.org/https://doi.org/10.1016/j.jcp.2020.109351

2019

Quantum chaos dynamics in long-range power law interaction systems
Chen, X., & Zhou, T. (2019). Quantum chaos dynamics in long-range power law interaction systems. Physical Review B, 100, 064305. https://doi.org/10.1103/PhysRevB.100.064305
Linear Scaling Self-Consistent Field Theory with Spectral Contour Accuracy
Vigil, D. L., ia-Cervera, C. J. G. \ \, Delaney, K. T., & Fredrickson, G. H. (2019). Linear Scaling Self-Consistent Field Theory with Spectral Contour Accuracy. Acs Macro Letters, 8, 1402\textendash1406. https://doi.org/10.1021/acsmacrolett.9b00632
A probabilistic framework for cellular lineage reconstruction using single-cell 5-hydroxymethylcytosine sequencing
Wangsanuwat, C., Aldeguer, J. F., Rivron, N. C., & Dey, S. S. (2019). A probabilistic framework for cellular lineage reconstruction using single-cell 5-hydroxymethylcytosine sequencing. Biorxiv, 739300. https://doi.org/10.1101/739300
Phonon-and charged-impurity-assisted indirect free-carrier absorption in Ga 2 O 3
Peelaers, H., & Van de Walle, C. G. (2019). Phonon-and charged-impurity-assisted indirect free-carrier absorption in Ga 2 O 3. Physical Review B, 100, 081202. https://doi.org/10.1103/PhysRevB.100.081202
Phase-field-based calculations of the disregistry fields of static extended dislocations in FCC metals
Xu, S., Mianroodi, J. R., Hunter, A., Beyerlein, I. J., & Svendsen, B. (2019). Phase-field-based calculations of the disregistry fields of static extended dislocations in FCC metals. Philosophical Magazine, 99, 1400\textendash1428. https://doi.org/https://doi.org/10.1080/14786435.2019.1582850
Origins of significant reduction of lattice thermal conductivity in graphene allotropes
Choudhry, U., Yue, S., & Liao, B. (2019). Origins of significant reduction of lattice thermal conductivity in graphene allotropes. Physical Review B, 100, 165401. https://doi.org/10.1103/PhysRevB.100.165401
Optimizing n-type doping of ZnGeN 2 and ZnSiN 2
Adamski, N. L., Zhu, Z., Wickramaratne, D., & Van de Walle, C. G. (2019). Optimizing n-type doping of ZnGeN 2 and ZnSiN 2. Physical Review B, 100, 155206. https://doi.org/10.1103/PhysRevB.100.155206
Optimized Phase Field Model for Diblock Copolymer Melts
Liu, J., ia-Cervera, C. J. G. \ \, Delaney, K. T., & Fredrickson, G. H. (2019). Optimized Phase Field Model for Diblock Copolymer Melts. Macromolecules, 52, 2878\textendash2888. https://doi.org/10.1021/acs.macromol.9b00194
Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions
Lin, Y., McCarty, J., Rauch, J. N., Delaney, K. T., Kosik, K. S., Fredrickson, G. H., et al. (2019). Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions. Elife, 8, e42571. https://doi.org/10.7554/eLife.42571
Multiscale network characterization of the strength and robustness of trabecular bone
Nguyen, C. (2019). Multiscale network characterization of the strength and robustness of trabecular bone. https://doi.org/10.1103/PhysRevLett.125.038003
Mass-transfer driven spinodal decomposition in a ternary polymer solution
Tree, D. R., Santos, L. F. D., Wilson, C. B., Scott, T. R., Garcia, J. U., & Fredrickson, G. H. (2019). Mass-transfer driven spinodal decomposition in a ternary polymer solution. Soft Matter. https://doi.org/10.1039/C9SM00355J
Methane Pyrolysis with a Molten Cu\textendashBi Alloy Catalyst
Palmer, C., Tarazkar, M., Kristoffersen, H. H., Gelinas, J., Gordon, M. J., McFarland, E. W., & Metiu, H. (2019). Methane Pyrolysis with a Molten Cu\textendashBi Alloy Catalyst. Acs Catalysis. https://doi.org/10.1021/acscatal.9b01833
Machine-learning the configurational energy of multicomponent crystalline solids
Natarajan, A. R., & Van der Ven, A. (2019). Machine-learning the configurational energy of multicomponent crystalline solids. Npj Computational Materials, 4, 56. https://doi.org/https://doi.org/10.1038/s41524-018-0110-y
Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials
Radin, M. D., Vinckeviciute, J., Seshadri, R., & Van der Ven, A. (2019). Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials. Nature Energy, 4, 639\textendash646. https://doi.org/10.1038/s41560-019-0439-6
Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials
Radin, M. D., Vinckeviciute, J., Seshadri, R., & Van der Ven, A. (2019). Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials. Nature Energy, 1. https://doi.org/10.1038/s41560-019-0439-6
Miktoarm Stars via Grafting-Through Copolymerization: Self-Assembly and the Star-to-Bottlebrush Transition
Levi, A. E., Lequieu, J., Horne, J. D., Bates, M. W., Ren, J. M., Delaney, K. T., et al. (2019). Miktoarm Stars via Grafting-Through Copolymerization: Self-Assembly and the Star-to-Bottlebrush Transition. Macromolecules. https://doi.org/10.1021/acs.macromol.8b02321
Modeling magnetic evolution and exchange hardening in disordered magnets: The example of Mn 1- x Fe x Ru 2 Sn Heusler alloys
Decolvenaere, E., Levin, E., Seshadri, R., & Van der Ven, A. (2019). Modeling magnetic evolution and exchange hardening in disordered magnets: The example of Mn 1- x Fe x Ru 2 Sn Heusler alloys. Physical Review Materials, 3, 104411. https://doi.org/10.1103/PhysRevMaterials.3.104411
The Mitochondrial Peptide Humanin Targets, but does not Denature Amyloid Oligomers in Type II Diabetes
Levine, Z. A., Teranishi, K., Okada, A. K., Langen, R., & Shea, J. -E. (2019). The Mitochondrial Peptide Humanin Targets, but does not Denature Amyloid Oligomers in Type II Diabetes. Journal Of The American Chemical Society. https://doi.org/10.1021/jacs.9b04995
Molecular design of self-coacervation phenomena in block polyampholytes
Danielsen, S. P. O., McCarty, J., Shea, J. -E., Delaney, K. T., & Fredrickson, G. H. (2019). Molecular design of self-coacervation phenomena in block polyampholytes. Proceedings Of The National Academy Of Sciences, 116, 8224\textendash8232. https://doi.org/doi/10.1073/pnas.1900435116