Publications

Journal Article
Ganguly P, Polak J, van der Vegt NFA, Heyda J, Shea J-E.  2020.  Protein Stability in TMAO and Mixed Urea-TMAO Solutions. The Journal of Physical Chemistry B.
Brgoch J, DenBaars SP, Seshadri R.  2013.  Proxies from Ab Initio Calculations for Screening Efficient Ce3+ Phosphor Hosts. The Journal of Physical Chemistry C. 117:17955–17959.
Kim Y, MacDonald AH, Gilbert MJ.  2012.  Pseudospin Transfer Torques in Semiconductor Electron Bilayers. Phys. Rev. B. in press
Hammetter C.I, Rinaldi R.G, Zok F.W.  2012.  Pyramidal Lattice Structures for High Strength and Energy Absorption. Journal of Applied Mechanics,. (in press)
Takacs CJ, Brady MA, Treat ND, Kramer EJ, Chabinyc ML.  2014.  Quadrites and Crossed-Chain Crystal Structures in Polymer Semiconductors. Nano letters. 14:3096–3101.
Jiao S, DeStefano A, Monroe JI, Barry M, Sherck N, Casey T, Segalman RA, Han S, M Shell S.  2021.  Quantifying Polypeptoid Conformational Landscapes through Integrated Experiment and Simulation. Macromolecules.
Clayton JA, Keller K, Qi M, Wegner J, Koch V, Hintz H, Godt A, Han S, Jeschke G, Sherwin MS et al..  2018.  Quantitative analysis of zero-field splitting parameter distributions in Gd (iii) complexes. Physical Chemistry Chemical Physics. 20:10470–10492.
Chen X, Zhou T.  2019.  Quantum chaos dynamics in long-range power law interaction systems. Physical Review B. 100:064305.
Weber J.R., Koehl W.F., Varley J.B., Janotti A., Buckley B.B., Van de Walle C.G., Awschalom D.D..  2010.  Quantum Computing with Defects. Proc. Natl. Acad. Sci.. 107:8513.
Gordon L, Weber JR, Varley JB, Janotti A, Awschalom DD, Van de Walle CG.  2013.  Quantum computing with defects. MRS Bulletin. 38:802–807.
Brady LT, van Dam W.  2016.  Quantum Monte Carlo simulations of tunneling in quantum adiabatic optimization. Physical Review A. 93:032304.
Li Y, Chen X, Fisher MPA.  2018.  Quantum Zeno effect and the many-body entanglement transition. Physical Review B. 98:205136.
Miao M-S, Hoffmann R, Botana J, Naumov II, Hemley RJ.  2017.  Quasimolecules in Compressed Lithium. Angewandte Chemie. 129:992–995.
Weng G, Vlcek V.  2020.  Quasiparticles and Band Structures in Organized Nanostructures of Donor–Acceptor Copolymers. The Journal of Physical Chemistry Letters. 11:7177–7183.
Weng G, Vlcek V.  2020.  Quasiparticles and Band Transport in Organized Nanostructures of Donor-Acceptor Copolymers. arXiv preprint arXiv:2006.00136.
Misch LM, Brgoch J, Birkel A, Mates TE, Stucky GD, Seshadri R.  2014.  Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.
Agarwal V, Metiu H.  2019.  Rates of adsorption and desorption: Entropic contributions and errors due to mean-field approximations. The Journal of chemical physics. 150:184702.
Huang C, Kristoffersen HH, Gong X-Q, Metiu H.  2016.  Reactions of Molten LiI with I2, H2O, and O2 Relevant to Halogen-Mediated Oxidative Dehydrogenation of Alkanes. Journal of Physical Chemistry C. 120(9):4931–4936.
Corr SA, Shoemaker DP, Melot BC, Seshadri R.  2010.  Real-Space Investigation of Structural Changes at the Metal-Insulator Transition in VO{\_}2. Physical Review Letters. 105:056404.
Delaney KT, Fredrickson GH.  2016.  Recent Developments in Fully Fluctuating Field-Theoretic Simulations of Polymer Melts and Solutions. Journal of Physical Chemistry B. 120(31):7615-7634.
Iyer PP, Butakov NA, Schuller JA.  2015.  Reconfigurable Semiconductor Phased-Array Metasurfaces. ACS Photonics.
Kristoffersen HH, Metiu H.  2015.  Reconstruction of Low-Index $\alpha$-V2O5 Surfaces. The Journal of Physical Chemistry C.
Mikhnenko OV, Collins SD, Nguyen T-Q.  2015.  Rectifying Electrical Noise with an Ionic-Organic Ratchet. Advanced Materials. 27:2007–2012.
Goiri J.G, Van der Ven A..  2018.  Recursive alloy Hamiltonian construction and its application to the Ni-Al-Cr system. Acta Materialia.
Oh S, Nikolaev A, Tagami K, Tran T, Lee D, Mukherjee S, Segalman RA, Han S, de Alaniz JRead, Chabinyc ML.  2021.  Redox-Active Polymeric Ionic Liquids with Pendant N-Substituted Phenothiazine. ACS Applied Materials & Interfaces. 13:5319–5326.

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