Publications

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A
Do TD, LaPointe NE, Nelson R, Krotee P, Hayden EY, Ulrich B, Quan S, Feinstein SC, Teplow DB, Eisenberg D et al..  2016.  Amyloid $\beta$-Protein C-terminal Fragments: Formation of Cylindrins and $\beta$-barrels. Journal of the American Chemical Society. 138:549–557.
Murray M.M, Griffin-Krone M., Bernstein S.L, Baumketner A., Condron M.M, Lazo N.D, Teplow D.B, Wyttenbach T., Shea J.-E., Bowers J.MT.  2009.  Amyloid-beta-Protein: Experiment and Theory on the 21-30 Fragment. Phys. Chem. B. 113:6041.
Blanco C, Bayas M, Yan F, Chen IA.  2018.  Analysis of Evolutionarily Independent Protein-RNA Complexes Yields a Criterion to Evaluate the Relevance of Prebiotic Scenarios. Current Biology. 28:526–537.
Pressman A, Moretti JE, Campbell GW, Müller UF, Chen IA.  2017.  Analysis of in vitro evolution reveals the underlying distribution of catalytic activity among random sequences. Nucleic acids research.
Wong AG, Wu C, Hannaberry E, Watson MD, Shea J-E, Raleigh DP.  2016.  Analysis of the Amyloidogenic Potential of Pufferfish (Takifugu rubripes) Islet Amyloid Polypeptide Highlights the Limitations of Thioflavin-T Assays and the Difficulties in Defining Amyloidogenicity. Biochemistry. 55:510–518.
Chen M-H, Emly A, Van der Ven A.  2015.  Anharmonicity and phase stability of antiperovskite Li 3 OCl. Physical Review B. 91:214306.
Miao M-S, Wang X-li, Brgoch J, Spera F, Jackson MG, Kresse G, Lin H-qing.  2015.  Anionic Chemistry of Noble Gases: Formation of Mg–NG (NG= Xe, Kr, Ar) Compounds under Pressure. Journal of the American Chemical Society. 137:14122–14128.
Kaufman JL, Van der Ven A.  2021.  Antiphase boundary migration as a diffusion mechanism in a P3 sodium layered oxide. Physical Review Materials. 5:055401.
Feng B, Wang Y, Geng T, Li A, Ding Y.  2021.  APNN-TC: Accelerating Arbitrary Precision Neural Networks on Ampere GPU Tensor Cores. arXiv preprint arXiv:2106.12169.
Aue DBetowski D.  2017.  The Application of Computational Chemistry to Problems in Mass Spectrometry.
Jacob B, Drawert B, Yi T-M, Petzold L.  2021.  An arbitrary Lagrangian Eulerian smoothed particle hydrodynamics (ALE-SPH) method with a boundary volume fraction formulation for fluid-structure interaction. Engineering Analysis with Boundary Elements. 128:274–289.
Yan L, Ravasio R, Brito C, Wyart M.  2017.  Architecture and coevolution of allosteric materials. Proceedings of the National Academy of Sciences. :201615536.
Mejuto-Zaera C, Weng G, Romanova M, Cotton SJ, K Whaley B, Tubman NM, Vlcek V.  2020.  Are multi-quasiparticle interactions important in molecular ionization? arXiv preprint arXiv:2009.02401.
Albrecht C, Kumar A, Xu S, Hunter A, Beyerlein IJ.  2021.  Asymmetric equilibrium core structures of pyramidal-II< c+ a> dislocations in ten hexagonal-close-packed metals. Physical Review Materials. 5:043602.
Handa S, Lippincott DJ, Aue DH, Lipshutz BH.  2014.  Asymmetric Gold-Catalyzed Lactonizations in Water at Room Temperature. Angewandte Chemie International Edition. 53:10658–10662.
Van de Walle CG, Pelesa A., Janottia A., Wilson-Short G.B..  2009.  Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B: Condensed Matter. 404(5-7):793.
Van de Walle C.G, Pelesa A., Janottia A., Wilson-Shorta G.B..  2008.  Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B. Physics of Condensed Matter
Johnson JM, Huang H-L, Wang M, Mu S, Varley JB, Bhuiyan AFMAnhar Uddi, Feng Z, Kalarickal NKurian, Rajan S, Zhao H et al..  2021.  Atomic scale investigation of aluminum incorporation, defects, and phase stability in β-(AlxGa1- x) 2O3 films. APL Materials. 9:051103.
Bezzola A., Bales B., Alkire R.C, Petzold L.R.  2013.  Atomic Scale Resolution for Stochastic Simulations of Electrodeposition at the Micrometer Scale. Journal of ECS. (in press)
Kumar A, Kedjar B, Su Y, Thilly L, Beyerlein IJ.  2020.  Atomic-level calculations and experimental study of dislocations in InSb. Journal of Applied Physics. 127:135104.
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.
Xu S, Hwang E, Jian W-R, Su Y, Beyerlein IJ.  2020.  Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys. Intermetallics. 124:106844.
Jun X, Shuozhi X, Beyerlein I.  2019.  Atomistic simulations of dipole tilt wall stability in thin films. Thin Solid Films.
Jian W-R, Zhang M, Xu S, Beyerlein I.  2020.  Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: A comparative study. Modelling and Simulation in Materials Science and Engineering.
Trusty T, Xu S, Beyerlein IJ.  2019.  Atomistic simulations of tungsten nanotubes under uniform tensile loading. Journal of Applied Physics. 126:095105.

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