Publications

CSC research acknowledged in publications and presentations.

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Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 2308708) at UC Santa Barbara.

Selected Publications

2020

Nitrogen-Doped graphene coated FeS2 microsphere composite as high-performance anode materials for sodium-ion batteries enhanced by the chemical and structural synergistic effect
Hou, T., Yue, S., Sun, X., Fan, A., Chen, Y., Wang, M., et al. (2020). Nitrogen-Doped graphene coated FeS2 microsphere composite as high-performance anode materials for sodium-ion batteries enhanced by the chemical and structural synergistic effect. Applied Surface Science, 505, 144633. https://doi.org/10.1016/j.apsusc.2019.144633
Non-unitary dynamics of Sachdev-Ye-Kitaev chains
Liu, C., Zhang, P., & Chen, X. (2020). Non-unitary dynamics of Sachdev-Ye-Kitaev chains. Measurement, 5, 15.
Numerical Simulation of Finite-Temperature Field Theory for Interacting Bosons
Delaney, K. T., Orland, H., & Fredrickson, G. H. (2020). Numerical Simulation of Finite-Temperature Field Theory for Interacting Bosons. Physical Review Letters, 124, 070601. https://doi.org/10.1103/PhysRevLett.124.070601
Operator L\ evy Flight: Light Cones in Chaotic Long-Range Interacting Systems
Zhou, T., Xu, S., Chen, X., Guo, A., & Swingle, B. (2020). Operator L\ evy Flight: Light Cones in Chaotic Long-Range Interacting Systems. Physical Review Letters, 124, 180601. https://doi.org/10.1103/PhysRevLett.124.180601
Ordering and Structural Transformations in Layered K x CrO2 for K-Ion Batteries
Kaufman, J. L., & Van der Ven, A. (2020). Ordering and Structural Transformations in Layered K x CrO2 for K-Ion Batteries. Chemistry Of Materials, 32, 6392\textendash6400. https://doi.org/10.1021/acs.chemmater.0c01460
Performing solvation free energy calculations in LAMMPS using the decoupling approach
Khanna, V., Monroe, J. I., Doherty, M. F., & Peters, B. (2020). Performing solvation free energy calculations in LAMMPS using the decoupling approach. Journal Of Computer-Aided Molecular Design, 1\textendash6. https://doi.org/10.1007/s10822-020-00303-3
Phylogenomic analysis and morphological data suggest left-right swimming behavior evolved prior to the origin of the pelagic Phylliroidae (Gastropoda: Nudibranchia)
Goodheart, J. A., & Wägele, H. (2020). Phylogenomic analysis and morphological data suggest left-right swimming behavior evolved prior to the origin of the pelagic Phylliroidae (Gastropoda: Nudibranchia). Organisms Diversity \& Evolution, 1\textendash11. https://doi.org/10.1007/s13127-020-00458-9
Physical constraints on early blastomere packings
Giammona, J., & As, O. C. \. (2020). Physical constraints on early blastomere packings. Biorxiv. https://doi.org/10.1101/2020.05.29.123067
A new software framework for implementing crystal growth models to materials of any crystallographic complexity
Zhao, Y., Tilbury, C. J., Landis, S., Sun, Y., Li, J., Zhu, P., & Doherty, M. F. (2020). A new software framework for implementing crystal growth models to materials of any crystallographic complexity. Crystal Growth \& Design. https://doi.org/10.1021/acs.cgd.9b01105

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
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
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
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