Publications

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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.
Oo W.MHlaing, Tabatabaei S., McCluskey M.D, Varley J.B, Janotti A., Van de Walle C.G.  2010.  Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations. Phys. Rev. B. 82:193201.
Varley J.B, Janotti A., Singh A.K, Van de Walle C.G.  2009.  Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.
Varley J.B, Janotti A., Singh A.K, Van de Walle C.G.  2009.  Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.
Zhu Z, Peelaers H, Van de Walle CG.  2016.  Hydrogen intercalation in MoS 2. Physical Review B. 94(8):085426.
Janotti A., Van de Walle C.G.  2007.  Hydrogen multicenter bonds. Nature Materials. 6:44-47.
Choi M, Janotti A, Van de Walle CG.  2014.  Hydrogen Passivation of Impurities in Al2O3. ACS applied materials & interfaces. 6:4149–4153.

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