Publications

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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.
Patterson AL, Danielsen SPO, Yu B, Davidson EC, Fredrickson GH, Segalman RA.  2019.  Sequence Effects on Block Copolymer Self-Assembly through Tuning Chain Conformation and Segregation Strength Utilizing Sequence-Defined Polypeptoids. Macromolecules.
Bellesia G., Jewett A.I, Shea J.-E..  2010.  Sequence periodicity and secondary structure propensity in model proteins. Protein Science. 19:141.
Xu S, McDowell DL, Beyerlein IJ.  2019.  Sequential obstacle interactions with dislocations in a planar array. Acta Materialia.
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.
Jian W-R, Xu S, Beyerlein IJ.  2020.  On the significance of model design in atomistic calculations of the Peierls stress in Nb. Computational Materials Science. :110150.
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.
Rooijers K, Markodimitraki CM, Rang FJ, de Vries SS, Chialastri A, de Luca KL, Mooijman D, Dey SS, Kind J.  2019.  Simultaneous quantification of protein–DNA contacts and transcriptomes in single cells. Nature biotechnology. :1.
Markodimitraki CM, Rang FJ, Rooijers K, de Vries SS, Chialastri A, de Luca KL, Lochs SJA, Mooijman D, Dey SS, Kind J.  2020.  Simultaneous quantification of protein–DNA interactions and transcriptomes in single cells with scDam&T-seq. Nature Protocols. :1–32.
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.
Vandervelden CA, Khan SA, Scott SL, Peters B.  2020.  Site-averaged kinetics for catalysts on amorphous supports: an importance learning algorithm. Reaction Chemistry & Engineering. 5:77–86.
Joswiak MN, Duff N, Doherty MF, Peters B.  2013.  Size-Dependent Surface Free Energy and Tolman-Corrected Droplet Nucleation of TIP4P/2005 Water. The Journal of Physical Chemistry Letters. 4:4267-4272.

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