Publications

2018
Swift MW, Van de Walle C.G, Fisher MPA.  2018.  Posner molecules: from atomic structure to nuclear spins. Physical Chemistry Chemical Physics. (20):12373-12380.
Yan L., Ravasio R., Brito C., Wyart M.  2018.  Principles for Optimal Cooperativity in Allosteric Materials. Biophysical Journal. 114(12):2787-2798.
Clayton JA, Keller K, Qi M, Wegner J, Koch V, Hintz H, Godt A, Han S, Jeschke G, Sherwin MS et al..  2018.  Quantitative analysis of zero-field splitting parameter distributions in Gd (iii) complexes. Physical Chemistry Chemical Physics. 20:10470–10492.
Li Y, Chen X, Fisher MPA.  2018.  Quantum Zeno effect and the many-body entanglement transition. Physical Review B. 98:205136.
Goiri J.G, Van der Ven A..  2018.  Recursive alloy Hamiltonian construction and its application to the Ni-Al-Cr system. Acta Materialia.
Martin JM, Li W, Delaney KT, Fredrickson GH.  2018.  SCFT Study of Diblock Copolymer Melts in Electric Fields: Selective Stabilization of Orthorhombic Fddd Network Phase. Macromolecules. 51:3369–3378.
Peelaers H, Varley JB, Speck JS, Van de Walle CG.  2018.  Structural and electronic properties of Ga2O3-Al2O3 alloys. Applied Physics Letters. 112(24)
Henske JK, Springer SD, O'Malley MA, Butler A.  2018.  Substrate-based differential expression analysis reveals control of biomass degrading enzymes in Pycnoporus cinnabarinus. Biochemical Engineering Journal. 130:83–89.
Frumkin JA, Doherty MF.  2018.  Target bounds on reaction selectivity via Feinberg's CFSTR equivalence principle. AIChE Journal. 64:926–939.
Chavoshi SZare, Xu S.  2018.  Tension-compression asymmetry in plasticity of nanotwinned 3C-SiC nanocrystals. Journal of Applied Physics. 124:095103.
Lewi T, Butakov NA, Schuller JA.  2018.   Thermal tuning capabilities of semiconductor metasurface resonators. arXiv. Optics:1-18.
Panagiotou E, Millett K, Atzberger PJ.  2018.  Topological Methods for Polymeric Materials: Characterizing the.
Abdelghany M., Farid A.A, Madhow U., Rodwell M.JW.  2018.  Towards All-digital mmWave Massive MIMO: Designing around Nonlinearities. 2018 52nd Asilomar Conference on Signals, Systems, and Computers.
Chavoshi SZare, Xu S.  2018.  Twinning effects in the single/nanocrystalline cubic silicon carbide subjected to nanoindentation loading. Materialia. 3:304–325.
Yue S-Y, Xu T, Liao B.  2018.  Ultralow thermal conductivity in a two-dimensional material due to surface-enhanced resonant bonding. Materials Today Physics. 7:89–95.
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.
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.

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