Publications

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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.
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.
Butakov NA, Schuller JA.  2015.  Hybrid optical antennas with photonic resistors. Optics Express. 23:29698.
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.
Shea J-E, Peter EKarl.  2014.  A hybrid MD-kMC algorithm for folding proteins in explicit solvent. Physical Chemistry Chemical Physics.
Detrixhe M, Gibou F.  2016.  Hybrid Massively Parallel Fast Sweeping Method for Static Hamilton-Jacobi Equations. Journal of Computational Physics. 322:199-223.
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.
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.
Kurzman JA, Miao M-S, Seshadri R.  2011.  Hybrid functional electronic structure of PbPdO2, a small-gap semiconductor. J. Phys.: Condens. Matte. 23:465501.
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.
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.
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.
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.
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.
Boldissar S, De Vries MS.  2018.  How nature covers its bases. Physical Chemistry Chemical Physics. 20:9701–9716.
Proulx SR, Dey S, Guzella T, Teotónio H.  2019.  How differing modes of non-genetic inheritance affect population viability in fluctuating environments. Ecology letters.
Cuenca SHernández.  2019.  Holographic entropy cone for five regions. Physical Review D. 100:026004.
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.
Weston L, Wickramaratne D, Van de Walle CG.  2017.  Hole polarons and p-type doping in boron nitride polymorphs. Physical Review B. 96:100102.
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
Chen M-H, Puchala B, Van der Ven A.  2015.  High-temperature stability of $δ$′-ZrO. Calphad. 51:292–298.
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.
Miao M-S, Hoffmann R.  2015.  High-Pressure Electrides: The Chemical Nature of Interstitial Quasiatoms. Journal of the American Chemical Society. 137:3631–3637.
Yang P-L, Marek-Sadowska M.  2018.  High-Performance Architecture Using Fast Dynamic Reconfigurable Accelerators. IEEE Transactions on Very Large Scale Integration (VLSI) Systems. 26(7)
Schmidt BVKJ, Wang CX, Kraemer S, Connal LA, Klinger D.  2017.  Highly functional ellipsoidal block copolymer nanoparticles: a generalized approach to nanostructured chemical ordering in phase separated colloidal particles. Polymer Chemistry.

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