Publications

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Buluc A, Duriakova E, Fox A, Gilbert JR, Kamil S, Lugowski A, Oliker L, Williams S.  2013.  High-productivity and high-performance analysis of filtered semantic graphs. Parallel & Distributed Processing (IPDPS), 2013 IEEE 27th International Symposium on.
Chen M-H, Puchala B, Van der Ven A.  2015.  High-temperature stability of $δ$′-ZrO. Calphad. 51:292–298.
Wang M, Ford MJ, Lill AT, Phan H, Nguyen T-Q, Bazan GC.  2017.  Hole Mobility and Electron Injection Properties of D-A Conjugated Copolymers with Fluorinated Phenylene Acceptor Units. Advanced Materials. 29
Weston L, Wickramaratne D, Van de Walle CG.  2017.  Hole polarons and p-type doping in boron nitride polymorphs. Physical Review B. 96:100102.
Laachi N, Delaney KT, Kim B, Hur S-M, Bristol R, Shykind D, Weinheimer CJ, Fredrickson GH.  2013.  The hole shrink problem: Theoretical studies of directed self-assembly in cylindrical confinement. SPIE Advanced Lithography.
Cuenca SHernández.  2019.  Holographic entropy cone for five regions. Physical Review D. 100:026004.
Proulx SR, Dey S, Guzella T, Teotónio H.  2019.  How differing modes of non-genetic inheritance affect population viability in fluctuating environments. Ecology letters.
Boldissar S, De Vries MS.  2018.  How nature covers its bases. Physical Chemistry Chemical Physics. 20:9701–9716.
Peter EK, Agarwal M, Kim B, Pivkin IV, Shea J-E.  2014.  How water layers on graphene affect folding and adsorption of TrpZip2. The Journal of Chemical Physics. 141:22D511.
Sanyal T, Mittal J, M Shell S.  2019.  A hybrid, bottom-up, structurally accurate, G o\=-like coarse-grained protein model. The Journal of chemical physics. 151:044111.
Sigurdsson J.K., Brown F.L.H., Atzberger P.J..  2013.  Hybrid Continuum-Particle Method for Fluctuating Lipid Bilayer Membranes with Diffusing Protein Inclusions. J. of Comp. Phys.. 252:65.
Gordon L, Lyons JL, Janotti A, Van de Walle CG.  2014.  Hybrid functional calculations of D X centers in AlN and GaN. Physical Review B. 89:085204.
Weston L, Janotti A, Cui XY, Stampfl C, Van de Walle CG.  2014.  Hybrid functional calculations of point defects and hydrogen in SrZrO 3. Physical Review B. 89:184109.
Kurzman JA, Miao M-S, Seshadri R.  2011.  Hybrid functional electronic structure of PbPdO2, a small-gap semiconductor. J. Phys.: Condens. Matte. 23:465501.
Janotti A., Varley J.B, Rinke P., Umezawa N., Kresse G., Van de Walle C.G.  2010.  Hybrid functional studies of the oxygen vacancy in TiO2. Phys. Rev. B. 81:85212.
Adamski NL, Zhu Z, Wickramaratne D, Van de Walle CG.  2017.  Hybrid functional study of native point defects and impurities in ZnGeN2. Journal of Applied Physics. 122:195701.
Detrixhe M, Gibou F.  2016.  Hybrid Massively Parallel Fast Sweeping Method for Static Hamilton-Jacobi Equations. Journal of Computational Physics. 322:199-223.
Shea J-E, Peter EKarl.  2014.  A hybrid MD-kMC algorithm for folding proteins in explicit solvent. Physical Chemistry Chemical Physics.
Petsev ND, L Leal G, M Shell S.  2015.  Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics. The Journal of Chemical Physics. 142:044101.
Butakov NA, Schuller JA.  2015.  Hybrid optical antennas with photonic resistors. Optics Express. 23:29698.
Keh MP, Walter J, Leal LG.  2014.  Hydrodynamic interaction between a capsule and a solid boundary in unbounded Stokes flow. Physics of Fluids (1994-present). 26:111903.
Agarwal V, Metiu H.  2015.  Hydrogen Abstraction Energies and Ammonia Binding to BEA, ZSM-5, and $\alpha$-Quartz Doped with Al, Sc, B, or Ga. The Journal of Physical Chemistry C. 119:16106–16114.
Evans HA, Fabini DH, Andrews JL, Koerner M, Preefer MB, Wu G, Wudl F, Cheetham AK, Seshadri R.  2018.  Hydrogen Bonding Controls the Structural Evolution in Perovskite-Related Hybrid Platinum (IV) Iodides. Inorganic chemistry. 57:10375–10382.
Gordon L, Abu-Farsakh H, Janotti A, Van de Walle CG.  2014.  Hydrogen bonds in Al2O3 as dissipative two-level systems in superconducting qubits. Scientific reports. 4
Chrétien S, Metiu H.  2015.  Hydrogen Dissociative Adsorption on Lanthana: Polaron Formation and the Role of Acid–Base Interactions. The Journal of Physical Chemistry C.

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