Publications

2020
Xu S, Mianroodi JR, Hunter A, Svendsen B, Beyerlein IJ.  2020.  Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al.
Horowitz GT, Wang D.  2020.  Consequences of Analytic Boundary Conditions in AdS. arXiv preprint arXiv:2002.10609.
Cárdenas LÁngel Lar, Gibou F.  2020.  A Deep Learning Approach for the Computation of Curvature in the Level-Set Method. arXiv preprint arXiv:2002.02804.
Palmer C, D Upham C, Smart S, Gordon MJ, Metiu H, McFarland EW.  2020.  Dry reforming of methane catalysed by molten metal alloys. Nature Catalysis. 3:83–89.
Levi AE, Fu L, Lequieu J, Horne JD, Blankenship J, Mukherjee S, Zhang T, Fredrickson GH, Gutekunst WR, Bates CM.  2020.  Efficient Synthesis of Asymmetric Miktoarm Star Polymers. Macromolecules.
Su Y, Ardeljan M, Knezevic M, Jain M, Pathak S, Beyerlein IJ.  2020.  Elastic constants of pure body-centered cubic Mg in nanolaminates. Computational Materials Science. 174:109501.
Lequieu J, Koeper T, Delaney KT, Fredrickson GH.  2020.  Extreme Deflection of Phase Boundaries and Chain Bridging in A (BA′) n Miktoarm Star Polymers. Macromolecules.
Kupfer T, Bauer EB, Marsh TR, van Roestel J, Bellm EC, Burdge KB, Coughlin MW, Fuller J, Hermes JJ, Bildsten L et al..  2020.  The First Ultracompact Roche Lobe–Filling Hot Subdwarf Binary. The Astrophysical Journal. 891:45.
Arsiccio A, McCarty J, Pisano R, Shea J-E.  2020.  Heightened Cold-Denaturation of Proteins at the Ice-Water Interface. Journal of the American Chemical Society.
Dally RL, Heng, JR A, Keselman A, Bordelon MM, Stone MB, Balents L, Wilson SD.  2020.  High order magnon bound states in the quasi-one-dimensional antiferromagnet $$\backslash$alpha $-NaMnO $ _2$. arXiv preprint arXiv:2001.07300.
Natarajan ARaju, Van der Ven A.  2020.  Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys. arXiv preprint arXiv:2001.06912.
Khanna V, Monroe JI, Doherty MF, Peters B.  2020.  Performing solvation free energy calculations in LAMMPS using the decoupling approach. Journal of Computer-Aided Molecular Design. :1–6.
Klemenz S, Hay AK, Teicher SML, Topp A, Cano J, Schoop LM.  2020.  The role of delocalized chemical bonding in square-net-based topological semimetals. Journal of the American Chemical Society.
Braun C, Engelhardt B, Griffy B, Rupert P.  2020.  Testing the Independence of Job Arrival Rates and Wage Offers. Labour Economics. :101804.
Lewi T, Butakov NA, Iyer PP, Evans HA, Chorsi H, Trastoy J, Granda JDel Valle, Valmianski I, Urban C, Kalcheim Y et al..  2020.  Tunable and reconfigurable high-index semiconductor meta-optics. High Contrast Metastructures IX.
Morgan EE, Mao L, Teicher SML, Wu G, Seshadri R.  2020.  Tunable Perovskite-Derived Bismuth Halides: Cs3Bi2 (Cl1–x I x) 9. Inorganic Chemistry.
Egan R, Gibou F.  2020.  xGFM: Recovering convergence of fluxes in the ghost fluid method.
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.
Trusty T, Xu S, Beyerlein IJ.  2019.  Atomistic simulations of tungsten nanotubes under uniform tensile loading. Journal of Applied Physics. 126:095105.
Lipshutz BHoward, Slack E, Seupel R, Aue D, Bringmann G.  2019.  Atroposelective Total Synthesis of the Fourfold ortho-Substituted Naphthyltetrahydroisoquinoline Biaryl O, N-Dimethylhamatine. Chemistry–A European Journal.
Abdelghany M, Madhow U, Tölli A.  2019.  Beamspace Local LMMSE: An Efficient Digital Backend for mmWave Massive MIMO. 2019 IEEE 20th International Workshop on Signal Processing Advances in Wireless Communications (SPAWC).
Fabini DH, Koerner M, Seshadri R.  2019.  Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies. Chemistry of Materials.

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