Publications

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Bousquet E, Spaldin NA, Delaney KT.  2010.  Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity. Phys. Rev. Lett.. 106:107202.
Bousquet E, Spaldin N.  2010.  J dependence in the LSDA+U treatment of noncollinear magnets. Phys. Rev. B. 82:220402.
Botana J, Miao M-S.  2014.  Pressure-stabilized lithium caesides with caesium anions beyond the- 1 state. Nature communications. 5
Bosse A.W, Sides S.W, Katsov K, García-Cervera C.J, Fredrickson G.H.  2006.  Defects and their removal in block copolymer thin film simulations. Journal of polymer science. Part B, Polymer physics. -44:2495.
Boldissar S, De Vries MS.  2018.  How nature covers its bases. Physical Chemistry Chemical Physics. 20:9701–9716.
Bocarsly JD, Levin EE, Garcia CAC, Schwennicke K, Wilson SD, Seshadri R.  2017.  A Simple Computational Proxy for Screening Magnetocaloric Compounds. Chemistry of Materials. 29:1613–1622.
Bleiholder C., Wyttenbach T., Bowers M.T.  2011.  A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections. Int. J. Mass Spectrom. -:inpress.
Bleiholder C, Do TD, Wu C, Economou NJ, Bernstein SS, Buratto SK, Shea J-E, Bowers MT.  2013.  Ion Mobility Spectrometry Reveals the Mechanism of Amyloid Formation of A beta (25–35) and Its Modulation by Inhibitors at the Molecular Level: Epigallocatechin Gallate and Scyllo-inositol. Journal of the American Chemical Society. 135:16926–16937.
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.
Blanco C, Bayas M, Yan F, Chen IA.  2018.  Analysis of Evolutionarily Independent Protein-RNA Complexes Yields a Criterion to Evaluate the Relevance of Prebiotic Scenarios. Current Biology. 28:526–537.
Bjaalie L, Janotti A, Himmetoglu B, Van de Walle CG.  2016.  Metal versus insulator behavior in ultrathin SrTiO 3-based heterostructures. Physical Review B. 94(3):035115(6).
Bjaalie L, Himmetoglu B, Weston L, Janotti A, Van de Walle GC.  2014.  Oxide interfaces for novel electronic applications. New Journal of Physics. 16:025005.
Bjaalie L, Ouellette DG, Moetakef P, Cain TA, Janotti A, Himmetoglu B, Allen SJ, Stemmer S, Van de Walle CG.  2015.  Small hole polarons in rare-earth titanates. Applied Physics Letters. 106:232103.
Bjaalie L, Janotti A, Krishnaswamy K, Van de Walle CG.  2016.  Point defects, impurities, and small hole polarons in GdTiO 3. Physical Review B. 93:115316.
Bjaalie L, Azcatl A, McDonnell S, Freeze CR, Stemmer S, Wallace RM, Van de Walle CG.  2016.  Band alignments between SmTiO3, GdTiO3, and SrTiO3. Journal of Vacuum Science & Technology A. 34:061102.
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.
Bjaalie L, Janotti A, Himmetoglu B, Van de Walle CG.  2014.  Turning SrTiO 3 into a Mott insulator. Physical Review B. 90:195117.
BJ, Jr D, M S, LR P, A. S.  2015.  Inferring single-cell gene expression mechanisms using stochastic simulation.. Bioinformatics. 31(9):1428-1435.
Bhat S, Rouskas GN.  2018.  Open Marketplace and Service Orchestration for Virtual Optical Networks.
Bezzola A., Bales B., Alkire R.C, Petzold L.R.  2013.  Atomic Scale Resolution for Stochastic Simulations of Electrodeposition at the Micrometer Scale. Journal of ECS. (in press)
Bezzola A, Bales BB, Petzold LR, Alkire RC.  2014.  Numerical Scaling Studies of Kinetically-Limited Electrochemical Nucleation and Growth with Accelerated Stochastic Simulations. Journal of The Electrochemical Society. 161:E3001–E3008.
Bernard C., Burch T., DeTar C., Gottlieb S., Heller U.M., Hetrick J., Levkova L., Maresca F., Renner D., Sugar R. et al..  2005.  The Equation of State for QCD with 2+1 Flavors of Quarks, The MILC Collaboration. Proceedings of Science. (Lattice 2005):156.
Berenbeim JA, Boldissar S, Owens S, Haggmark MR, Gate G, Siouri FM, Cohen T, Rode MF, C Patterson S, de Vries MS.  2019.  Excited state intramolecular proton transfer in hydroxyanthraquinones: Toward predicting fading of organic red colorants in art. Science Advances. 5:eaaw5227.
Berenbeim JA, Boldissar S, Siouri FM, Gate G, Haggmark MR, Aboulache B, Cohen T, De Vries MS.  2017.  Excited-State Dynamics of Isocytosine: A Hybrid Case of Canonical Nucleobase Photodynamics. The Journal of Physical Chemistry Letters. 8:5184–5189.
Bellesia G, Shea J-E.  2009.  Effect of beta-sheet propensity on peptide aggregation.. J. Chem. Phys.. 130:145103.

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