Publications

Journal Article
Hauser AJ, Mikheev E, Kajdos AP, Janotti A.  2016.  Small polaron-related recombination in BaxSr1- xTiO3 thin films by cathodoluminescence spectroscopy. Applied Physics Letters. 108:102901.
Bjaalie L, Ouellette DG, Moetakef P, Cain TA, Janotti A, Himmetoglu B, Allen SJ, Stemmer S, Van de Walle CG.  2015.  Small hole polarons in rare-earth titanates. Applied Physics Letters. 106:232103.
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.
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.
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.
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.
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.
Levine ZA, Shea J-E.  2017.  Simulations of disordered proteins and systems with conformational heterogeneity. Current Opinion in Structural Biology. 43:95–103.
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.
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.
Teng Y, Otaduy MA, Madrid URJC, Kim T.  2014.  Simulating Articulated Subspace Self-Contact. SIGGRAPH 2014.
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.
Calusine G, Politi A, Awschalom DD.  2014.  Silicon carbide photonic crystal cavities with integrated color centers. Applied Physics Letters. 105:-.
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
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.
Nazarian O, Zok FW.  2014.  Shear-Dominated Plastic Behavior of a Cross-ply Dyneema® Composite. Composites Part A: Applied Science and Manufacturing.
Lyons JL, Janotti A, Van de Walle CG.  2012.  Shallow versus Deep Nature of Mg Acceptors in Nitride Semiconductors. Phys. Rev. Letters. 108:156403.
Xu S, McDowell DL, Beyerlein IJ.  2019.  Sequential obstacle interactions with dislocations in a planar array. Acta Materialia.
Bellesia G., Jewett A.I, Shea J.-E..  2010.  Sequence periodicity and secondary structure propensity in model proteins. Protein Science. 19:141.
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.
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.
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.
Li W, Chakrabarti A, Gunton JD.  2013.  Self-Assembly of a Bipolar Model of Biomacromolecules. Langmuir. 29:4470.
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.
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.

Pages