Publications

2019
Pilar K, Deng Z, Preefer MB, Cooley JA, Clément R, Seshadri R, Cheetham AK.  2019.  Ab initio computation for solid-state 31 P NMR of inorganic phosphates: revisiting X-ray structures. Physical Chemistry Chemical Physics.
Su Y, Xu S, Beyerlein I.  2019.  Ab initio-informed phase-field modeling of dislocation core structures in equal-molar CoNiRu multi-principal element alloys. Modelling and Simulation in Materials Science and Engineering.
Yurash B, Leifert D, Reddy GNManjunatha, Cao DXi, Biberger S, Brus VV, Seifrid M, Santiago PJ, Köhler A, Chmelka BF et al..  2019.  Atomic-Level Insight into the Post Synthesis Bandgap Engineering of a Lewis Basic Polymer Using the Lewis Acid Tris (pentafluorophenyl) borane. Chemistry of Materials.
Jun X, Shuozhi X, Beyerlein I.  2019.  Atomistic simulations of dipole tilt wall stability in thin films. Thin Solid Films.
Fabini DH, Koerner M, Seshadri R.  2019.  Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies. Chemistry of Materials.
Evans HA, Andrews JL, Fabini DH, Preefer MB, Wu G, Cheetham AK, Wudl F, Seshadri R.  2019.  The capricious nature of iodine catenation in I2 excess, perovskite-derived hybrid Pt(IV) compounds. Chemical Communications. 55(5):588-591.
Hughes MP, Rosenthal KD, Dasari RR, Luginbuhl BR, Yurash B, Marder SR, Nguyen T-Q.  2019.  Charge Recombination Dynamics in Organic Photovoltaic Systems with Enhanced Dielectric Constant. Advanced Functional Materials. :1901269.
Choudhry U, Yue S, Liao B.  2019.  Coherent Phonon Transport in Two-dimensional Graphene Superstructures. arXiv preprint arXiv:1904.03316.
Xu S, Smith L, Mianroodi JRezaei, Hunter A, Svendsen B, Beyerlein I.  2019.  A comparison of different continuum approaches in modeling mixed-type dislocations in Al. Modelling and Simulation in Materials Science and Engineering.
McCarty J, Delaney KT, Danielsen SPO, Fredrickson GH, Shea J-E.  2019.  Complete Phase Diagram for Liquid–Liquid Phase Separation of Intrinsically Disordered Proteins. The Journal of Physical Chemistry Letters. 10(8):1644-1652.
Natarajan ARaju, Van der Ven A.  2019.  Connecting the Simpler Structures to Topologically Close-Packed Phases. Physical review letters. 121:255701.
Grzetic DJ, Delaney KT, Fredrickson GH.  2019.  Contrasting Dielectric Properties of Electrolyte Solutions with Polar and Polarizable Solvents. Physical Review Letters. 122(12)
Yue S-Y, Yang R, Liao B.  2019.  Controlling Thermal Conductivity of Two-dimensional Materials via Externally Induced Phonon-Electron Interaction. arXiv preprint arXiv:1904.11011.
Tsang BT-H, Schultz WC.  2019.  Deep Neural Network Classifier for Variable Stars with Novelty Detection Capability. The Astrophysical Journal Letters. 877:L14.
Seifrid MT, Manjunatha-Reddy G.N, Zhou C, Chmelka BF, Bazan GC.  2019.  Direct Observation of the Relationship between Molecular Topology and Bulk Morphology for a π-Conjugated Material. Journal of the American Chemical Society. 141(13):5078-5082.
Emery BM.  2019.  Evaluation of Alternative Direction-of-Arrival Methods for Oceanographic HF Radars. IEEE Journal of Oceanic Engineering.
Teicher SML, Lamontagne LK, Schoop LM, Seshadri R.  2019.  Fermi-level Dirac crossings in 4 d and 5 d cubic metal oxides: NaPd 3 O 4 and NaPt 3 O 4. Physical Review B. 99:195148.
Wu X-C, Keselman A, Jian C-M, Pawlak KAnn, Xu C.  2019.  Ferromagnetism and Spin-Valley liquid states in Moir$\backslash$'${$e$}$ Correlated Insulators. arXiv preprint arXiv:1905.00033.
Grzetic DJ, Delaney KT, Fredrickson GH.  2019.  Field-Theoretic Study of Salt-Induced Order and Disorder in a Polarizable Diblock Copolymer. ACS Macro Letters.
Cuenca SHernández.  2019.  Holographic entropy cone for five regions. Physical Review D. 100:026004.
Sanyal T, Mittal J, M Shell S.  2019.  A hybrid, bottom-up, structurally accurate, G o\=-like coarse-grained protein model. The Journal of chemical physics. 151:044111.
Barel I, Reich NO, Brown FLH.  2019.  Integrated rate laws for processive and distributive enzymatic turnover. The Journal of chemical physics. 150:244120.
Hejazi K, Liu C, Balents L.  2019.  Landau levels in twisted bilayer graphene and semiclassical orbits. arXiv preprint arXiv:1903.11563.
Natarajan ARaju, Van der Ven A.  2019.  Machine-learning the configurational energy of multicomponent crystalline solids. npj Computational Materials. 4:56.
Radin MD, 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.

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