Publications

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2008
M. Yaldizli, Mohammad, H., Mehravaran, K., and Jaberi, F. A., “The Structure of Partially-Premixed Methane Flames in High Intensity Turbulent Flows”, Combustion and Flame, vol. 154, no. 4, pp. 692-714, 2008.
Z. Rak, Mahanti, S. D., Mandal, K. C., and Fernelius, N. C., “Theoretical studies of defect states in GaTe”, Journal of Physics: Condensed Matter, vol. 21, no. 1, p. 015504, 2008.
M. Mocko, Tsang, M. B., Lacroix, D., Ono, A., Danielewicz, P., Lynch, W. G., and Charity, R. J., “Transport Model Simulations of Projectile Fragmentation Reactions at 140 {MeV/nucleon}”, Physical Review C, vol. 78, no. 2, 2008.
2007
Y. Ohtsuka, Piecuch, P., Gour, J. R., Ehara, M., and Nakatsuji, H., “Active-Space Symmetry-Adapted-Cluster Configuration-Interaction and Equation-of-Motion Cluster Methods for High Accuracy Calculations of Potential Energy Surfaces of Radicals”, The Journal of Chemical Physics, vol. 126, no. 16, p. 28 pages, 2007.
Y. Ge, Gordon, M. S., and Piecuch, P., “Breaking Bonds with the Left Eigenstate Completely Renormalized Coupled-Cluster Method”, The Journal of Chemical Physics, vol. 127, no. 17, p. 6 pages, 2007.
A. Kinal and Piecuch, P., “Computational Investigation of the Conrotatory and Disrotatory Isomerization Channels of Bicyclo[1.1.0]butane to Buta-1,3-diene: A Completely Renormalized Coupled-Cluster Study”, Journal of Physical Chemistry A, vol. 111, no. 4, pp. 734-742, 2007.
M. Horoi, Gour, J. R., Wloch, M., Lodriguito, M. D., Brown, B. A., and Piecuch, P., “Coupled-Cluster and Configuration-Interaction Calculations for Heavy Nuclei”, Physical Review Lettters, vol. 98, no. 11, p. 4 pages, 2007.
G. Hagen, Papenbrock, T., Dean, D. J., Schwenk, A., NHogga, A., Wloch, M., and Piecuch, P., “Coupled-Cluster Theory for Three-Body Hamiltonians”, Physical Review C, vol. 76, no. 3, p. 11 pages, 2007.
N. V. Priezjev, “Effect of surface roughness on rate-dependent slip in simple fluids”, The Journal of Chemical Physics, vol. 127, no. 14, p. 144708, 2007.
M. Wloch, Gour, J. R., and Piecuch, P., “Extension of the Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian to Open- Shell Systems: A Benchmark Study”, The Journal of Physical Chemistry A, vol. 111, no. 44, pp. 11359-11382, 2007.
M. Yaldizli, Li, Z., and Jaberi, F. A., “Filtered Mass Density Function for Numerical Simulations of Spray Combustion”, in 46th AIAA Aerospace Sciences Meeting and Exhibit, Reno, Nevada, 2007.
A. Afshari, Jaberi, F. A., and Shih, T. I. - P., “LES/FMDF of Turbulent Combustion in Complex Flow Systems”, in 45th AIAA Aerospace Sciences Meeting and Exhibit, Reno, Nevada, 2007.
P. Piecuch, Pimienta, I. S. O., Fan, P. - D., and Kowalski, K., “New Alternatives for Accurate Electronic Structure Calculations of Potential Energy Surfaces Involving Bond Breaking”, in Electron Correlation Methodology, vol. 958, Washington, DC: American Chemical Sociegy, 2007.
M. Yaldizli, Li, Z., and Jaberi, J. A., “A New Model for Large Eddy Simulations of Multi-Phase Turbulent Combustion”, in Proceedings of the 43rd AIAA/ASME/SAI/ASEE Joint Propulsion Conference, Cincinnati, Ohio, 2007.
Z. Li, Yaldizli, M., and Jaberi, F. A., “Numerical Simulations of Two-Phase Turbulent Combustion in Spray Burners”, ASME Conference Proceedings, Computers and Information in Engineering Conference. ASME, Las Vegas, Nevada, 2007.
N. V. Priezjev, “Rate-dependent slip boundary conditions for simple fluids”, Physical Review E, vol. 75, no. 5, p. 51605, 2007.
P. Piecuch, Wloch, M., and Verandas, A. J. C., “Renormalized Coupled-Cluster Methods: Theoretical Foundations and Application to Potential Function of Water”, in Progress in Theoretical Chemistry and Physics, vol. 16, no. Part 1, 2007, pp. 63-121.
K. Starosta, Dewald, A., Dunomes, A., Adrich, P., Amthor, A. M., Baumann, T., Bazin, D., Bowen, M., Brown, B. A., Chester, A., Gade, A., Galaviz, D., Glasmacher, T., Ginter, T., Hausmann, M., Horoi, M., Jolie, J., Melon, B., Miller, D., Moeller, V., Norris, R. P., Pissulla, T., Portillo, M., Rother, W., Shimbara, Y., Stolz, A., Vaman, C., Voss, P., Weisshaar, D., and Zelevinsky, V., “Shape and Structure of N = Z 64Ge: Electromagnetic Transition Rates from the Application of the Recoil Distance Method to a Knockout Reaction”, PHYSICAL REVIEW LETTERS, vol. 99, 2007.
N. Moore, Walker, R., Arima, E., and da Silva, R. Ramos, “Uncertainty and the changing hydroclimatology of the Amazon”, Geophysical Research Letters, vol. 34, 2007.
C. Vaman, Andreoiu, C., Bazin, D., Beccerril, A., Brown, B. A., Campbell, C. M., Chester, A., Cook, J. M., Dinca, D. C., Gade, A., Galaviz, D., Glasmacher, T., Hjorth-Jensen}, M. {, Horoi, M., Miller, D., Moeller, V., Mueller, W. F., Schiller, A., Starosta, K., Stolz, A., Terry, J. R., Volya, A., Zelevinsky, V., and Zwahlen, H., “Z = 0 Shell Gap near 100Sn from Intermediate-Energy Coulomb Excitations in Even-Mass 106-112Sn Isotopes”, PHYSICAL REVIEW LETTERS, vol. 99, 2007.
2006
P. Piecuch, Wloch, M., Dean, D. J., Gour, J. R., Hjorth-Jensen}, M. {, Papenbrock, T., and Kowalski, K., “Ab Initio Coupled-Cluster Calculations for Nuclei Using Methods of Quantum Chemistry”, European Physics Journal A, vol. 25, no. 1, pp. 485-488, 2006.
P. Juhás, Cherba, D. M., Duxbury, P. M., Punch, W. F., and Billinge, S. J. L., “Ab initio determination of solid-state nanostructure”, Nature, vol. 440, pp. 655–658, 2006.
S. Ahmad, Mahanti, S. D., Hoang, K., and Kanatzidis, M. G., “Ab initio studies of the electronic structure of defects in {PbTe}”, Physical Review B, vol. 74, no. 15, p. 155205, 2006.
P. Piecuch, Hirata, S., Kowalski, K., Fan, P. - D., and Windus, T. L., “Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods”, International Journal of Quantum Chemistry, vol. 106, no. 1, pp. 79–97, 2006.
J. Chocholouscaronová and Feig, M., “Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations”, Journal of Computational Chemistry, vol. 27, no. 6, pp. 719–729, 2006.

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