TGQR 2010Q4 Report.pdf - Teragridforum.org

368. M. A. Morales, C. Pierleoni, and D. M. Ceperley. ”Equation of State of liquid hydrogen at high
pressure from quantum Monte Carlo Calculations”, Phys. Rev. E 81 021202 (2010).,
369. F. Lin, M. A. Morales, K. T. Delaney, C. Pierleoni, R. M. Martin, and D. M. Ceperley,
“Quantum Monte Carlo Calculation of Liquid Hydrogen Electrical Conductivity”, Phys. Rev. Lett. 103, 256401
(2009).
370. B. Clark, M. Casula, D. M. Ceperley, ”Phase Transitions in the 2D one component plasma”, Phys.
Rev. Lett. 103, 055701 (2009).
371. M. White, M. Pasienski, D. McKay, S. Zhou, D. Ceperley, B. DeMarco, Strongly interacting
bosons in a disordered optical lattice, Phys. Rev. Letts., 102, 055301 (2009); arXiv:0807.0446v2
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372. Simo Huotari, J. Aleksi Soininen, Tuomas Pylkk¨anen, Keijo H¨am¨al¨ainen, Arezki Issolah, Andrey
Titov, Jeremy McMinis, Jeongnim Kim, Ken Esler, David M. Ceperley, Markus Holzmann, Valerio Olevano,
Momentum Distribution and Renormalization Factor in Sodium and the Electron Gas, submitted Phys. Rev.
Letts. June 2010.
373. K. P. Esler, R. E. Cohen, B. Militzer, Jeongnim Kim, R. J. Needs, and M. D. Towler,
Fundamental High-Pressure Calibration from All-Electron Quantum Monte Carlo Calculations, Phys. Rev.
Lett. 104, 185702 (2010)
Mathematical Sciences
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374. B. Kouchmeshky and N. Zabaras, "The effect of multiple sources of uncertainty on convex hull of
material properties", Computational Material Science, Vol. 47, pp. 342352, 2009.
375. X. Ma and N. Zabaras, "An adaptive high-dimensional stochastic model representation technique
for the solution of stochastic partial differential equations", Journal of Computational Physics, Vol. 229, pp.
3884-3915, 2010.
376. B. Kouchmeshky and N. Zabaras, "Microstructure model reduction and uncertainty quantification in
multiscale deformation processes", Computational Materials Science, Vol. 48, pp. 213-227, 2010.
377. Z. Li, B. Wen and N. Zabaras, "Computing mechanical response variability of
polycrystalline microstructures through dimensionality reduction techniques",
Computational Materials Science, in press, 2010.
B. Wen, Z. Li and N. Zabaras, "Thermal response variability of random polycrystalline microstructures",
Communications in Computational Physics, submitted.
378. X. Ma and N. Zabaras, "A stochastic mixed finite element heterogeneous multiscale method for
flow in porous media", Journal of Computational Physics, submitted.
Molecular Biosciences
CHE090097
379. D. Svozil, P. Hobza, and J. ˇSponer. Comparison of Intrinsic Stacking Energies of Ten Unique
Dinucleotide Steps in A-RNA and B-DNA Duplexes. Can We Determine Correct Order of Stability by
Quantum-Chemical Calculations J. Phys. Chem. B, 114:1191–1203, 2010.
380. B. Heddi, C. Oguey, C. Lavelle, N. Foloppe, and B. Hartmann. Intrinsic flexibility of B-DNA: the
experimental TRX scale. Nucl. Acid. Res., 38:1034–1047, 2010.
381. A. Gil, V. Branchadell, J. Bertran, and A. Oliva. An Analysis of the Different Behavior of DNA and
RNA through the Study of the Mutual Relationship between Stacking and Hydrogen Bonding. J. Phys.
Chem. B, 113:4907–4914, 2009.
382. R. H. D. Lyngdoh and H. F. Schaefer III. Elementary Lesions in DNA Subunits: Electron, Hydrogen
Atom, Proton, and Hydride Transfers. Acc. Chem. Res., 42:563–572, 2009.