Publications

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Janotti A, Franchini C, Varley JB, Kresse G, Van de Walle CG.  2013.  Dual behavior of excess electrons in rutile TiO2. physica status solidi (RRL)-Rapid Research Letters. doi: 10.1002/pssr.201206464
Larini L, Shea J-E.  2013.  Double Resolution Model for Studying TMAO/Water Effective Interactions. The Journal of Physical Chemistry B. 117:13268–13277.
Moses PG, Janotti A, Franchini C, Kresse G, Van de Walle CG.  2016.  Donor defects and small polarons on the TiO2 (110) surface. Journal of Applied Physics. 119:181503.
Li B, Metiu H.  2012.  Does Halogen Adsorption Activate the Oxygen Atom on an Oxide Surface? I. A Study of Br 2 and HBr Adsorption on La 2 O 3 and La 2 O 3 Doped with Mg or Zr Journal of Physical Chemistry C. 116(6):4137–4148.
Garrison JR, Grover T.  2018.  Does a single eigenstate encode the full Hamiltonian? Physical Review X. 8:021026.
Bellesia G, Shea J-E.  2009.  Diversity of kinetic pathways in amyloid fibril formation. J. Chem. Phys.. 131:111102.
Goldhaber D, Startz R.  2016.  On the Distribution of Worker Productivity: The Case of Teacher Effectiveness and Student Achievement. Statistics and Public Policy. 4(1)
Gordon L, Miao M-S, Chowdhury S, Higashiwaki M, Mishra UK, Van de Walle CG.  2010.  Distributed surface donor states and the two-dimensional electron gas at AlGaN/GaN heterojunctions. Journal of Physics D. 43:505501.
Laachi N, Iwama T, Delaney KT, Shykind D, Weinheimer CJ, Fredrickson GH.  2015.  Directed self-assembly of linear arrays of block copolymer cylinders. Journal of Polymer Science Part B: Polymer Physics. 53(5):317–326.
Laachi N, Iwama T, Delaney KT, Shykind D, Weinheimer CJ, Fredrickson GH.  2015.  Directed self-assembly of linear arrays of block copolymer cylinders. Journal of Polymer Science Part B: Polymer Physics. 53(5):317–326.
Carpenter CL, Delaney KT, Fredrickson GH.  2016.  Directed self-assembly of diblock copolymers in multi-VIA configurations: effect of chemopatterned substrates on defectivity. Proc. SPIE 9779, Advances in Patterning Materials and Processes XXXIII. 9779:97791E.
Carpenter CL, Delaney KT, Laachi N, Fredrickson GH.  2015.  Directed self-assembly of diblock copolymers in cylindrical confinement: effect of underfilling and air-polymer interactions on configurations. SPIE Advanced Lithography.
Seifrid MT, Manjunatha-Reddy G.N, Zhou C, Chmelka BF, Bazan GC.  2019.  Direct Observation of the Relationship between Molecular Topology and Bulk Morphology for a π-Conjugated Material. Journal of the American Chemical Society. 141(13):5078-5082.
Pereira JClayston M, Iretskii AV, Han R-M, Ford PC.  2014.  Dinitrosyl Iron Complexes with Cysteine. Kinetics Studies of the Formation and Reactions of DNICs in Aqueous Solution. Journal of the American Chemical Society.
Bleiholder C, Dupuis NF, Bowers MThomas.  2013.  Dimerization of Chirally Mutated Enkephalin Neurotransmitters: Implications for Peptide and Protein Aggregation Mechanisms. The Journal of Physical Chemistry B. 117:1770.
Chen R, Lee SB, Balents L.  2013.  Dimer Mott Insulator in an Oxide Heterostructure. Phys. Rev. B. 87:161119.
Camley BA, Brown FLH.  2013.  Diffusion of complex objects embedded in free and supported lipid bilayer membranes: role of shape anisotropy and leaflet structure. Soft Matter. 9:4767–4779.
Kleckner D, Irvine WTM, Oemrawsingh SSR, Bouwmeester D.  2010.  Diffraction-limited high-finesse optical cavities. Physical Review A. 81(4):043814.
Watson MC, Brandt EG, Welch PM, Brown FLH.  2012.  Determining Biomembrane Bending Rigidities from Simulations of Modest Size. Phys. Rev. Lett. 109:28102.
Bjaalie L, Verma A, Himmetoglu B, Janotti A, Raghavan S, Protasenko V, Steenbergen EH, Jena D, Stemmer S, Van de Walle CG.  2015.  Determination of the Mott-Hubbard gap in GdTiO 3. Physical Review B. 92:085111.
Kioupakis E, Rinke P, Van de Walle CG.  2010.  Determination of Internal Loss in Nitride Lasers from First Principles. Applied Physics Express. 3:82101.
Levine ZA, Venable RM, Watson MC, Lerner MG, Shea J-E, Pastor RW, Brown FLH.  2014.  Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations. Journal of the American Chemical Society. 136:13582–13585.
Chen H, Zhang L.  2015.  A Desulfonylative Approach in Oxidative Gold Catalysis: Regiospecific Access to Donor-Substituted Acyl Gold Carbenes. Angewandte Chemie. 127:11941–11945.
Hammetter CIan.  2014.  Designing pyramidal lattice structures for energy absorption.
Liu X, Sun Y, Hsu BBY, Lorbach A, Qi L, Heeger AJ, Bazan GC.  2014.  Design and Properties of Intermediate-Sized Narrow Band-Gap Conjugated Molecules Relevant to Solution-Processed Organic Solar Cells. Journal of the American Chemical Society. 136:5697–5708.

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