Publications

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Journal Article
Duff N, Dahal YRaj, Schmit JD, Peters B.  2014.  Salting out the polar polymorph: Analysis by alchemical solvent transformation. Journal of Chemical Physics. 140(1):014501.
Wilber MQ, Kitzes J, Harte J.  2015.  Scale collapse and the emergence of the power law species–area relationship. Global Ecology and Biogeography.
Griffin SM, Lilienblum M, Delaney KT, Kumagai Y, Fiebig M, Spaldin NA.  2012.  Scaling Behavior and Beyond Equilibrium in the Hexagonal Manganites. Physical Review X. 2(4):41022.
Frostad JM, Walter J, Leal LG.  2013.  A scaling relation for the capillary-pressure driven drainage of thin films. Physics of Fluids (1994-present). 25:052108.
Li W, Ruth D, Gunton JD, Rickman JM.  2015.  Selective encapsulation by Janus particles. The Journal of chemical physics. 142:244705.
Pala R.GS, Metiu H..  2008.  Selective promotion of different modes of methanol adsorption via the cation substitutional doping of a ZnO (101bar0) surface. J. Catalysis. 254(2):325-331.
Hur S-M, Frischknecht AL, Huber DL, Fredrickson GH.  2013.  Self-assembly in a mixed polymer brush with inhomogeneous grafting density composition. Soft Matter. 9:5341–5354.
Li W, Chakrabarti A, Gunton JD.  2013.  Self-Assembly of a Bipolar Model of Biomacromolecules. Langmuir. 29:4470.
Hur S., Frischknecht A.L, Huber D.L, Fredrickson G.H.  2011.  Self-consistent field simulations of self- and directed-assembly in a mixed polymer brush. Soft Mater.. 7:8776.
Laachi N, Delaney KT, Kim B, Hur S-M, Bristol R, Shykind D, Weinheimer CJ, Fredrickson GH.  2014.  Self-consistent field theory investigation of directed self-assembly in cylindrical confinement. Journal of Polymer Science Part B: Polymer Physics.
Bellesia G., Jewett A.I, Shea J.-E..  2010.  Sequence periodicity and secondary structure propensity in model proteins. Protein Science. 19:141.
Lyons JL, Janotti A, Van de Walle CG.  2012.  Shallow versus Deep Nature of Mg Acceptors in Nitride Semiconductors. Phys. Rev. Letters. 108:156403.
Nazarian O, Zok FW.  2014.  Shear-Dominated Plastic Behavior of a Cross-ply Dyneema® Composite. Composites Part A: Applied Science and Manufacturing.
Eschmann NA, Georgieva ER, Ganguly P, Borbat PP, Rappaport MD, Akdogan Y, Freed JH, Shea J-E, Han S.  2017.  Signature of an aggregation-prone conformation of tau. Scientific Reports. 7:44739.
Seo S, Lee DWoog, Ahn JSoo, Cunha K, Filippidi E, Ju SWon, Shin E, Kim B-S, Levine ZA, Lins RD et al..  2017.  Significant performance enhancement of polymer resins by bioinspired dynamic bonding. Advanced Materials. 29
Calusine G, Politi A, Awschalom DD.  2014.  Silicon carbide photonic crystal cavities with integrated color centers. Applied Physics Letters. 105:-.
Bocarsly JD, Levin EE, Garcia CAC, Schwennicke K, Wilson SD, Seshadri R.  2017.  A Simple Computational Proxy for Screening Magnetocaloric Compounds. Chemistry of Materials. 29:1613–1622.
Teng Y, Otaduy MA, Madrid URJC, Kim T.  2014.  Simulating Articulated Subspace Self-Contact. SIGGRAPH 2014.
Radin MD, Van der Ven A.  2017.  Simulating Charge, Spin, and Orbital Ordering: Application to Jahn–Teller Distortions in Layered Transition-Metal Oxides. Chemistry of Materials. 30:607–618.
Plunkett P, Camley BA, Weirich KL, Israelachvili J, Atzberger PJ.  2013.  Simulation of edge facilitated adsorption and critical concentration induced rupture of vesicles at a surface. Soft Matter. 9:8420–8427.
Levine ZA, Shea J-E.  2017.  Simulations of disordered proteins and systems with conformational heterogeneity. Current Opinion in Structural Biology. 43:95–103.
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.
Miao M-S, Lambrecht WRL.  2012.  Single well or double well: First-principles study of 8H and 3C inclusions in the 4H SiC polytype. Physical Review B. 85(20):205318.
Peng Y, Xie S, Zheng Y, Brown FLH.  2009.  Single-molecule photon emission statistics for systems with explicit time dependence: Generating function approach. J. Chem. Phys.. 131:214107.

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