Publications

The following are publications made possible by iCER resources. MSU faculty that would like to highlight the output of their research that's benefited from iCER resources are invited to contact us.

Export 566 results:
Author Title [ Type(Asc)] Year
Journal Article
P. Piecuch, Lodriguito, M. D., Kowalski, K., and Wloch, M., Non-Iterative Coupled- Cluster Methods Employing Multi-Reference Perturbation Theory Wave Functions, Journal of Molecular Structure: THEOCHEM, vol. 771, no. 1-3, pp. 89-104, 2006.
P. Piecuch, Fan, {P. - D. }, and Kowalski, K., Noniterative Corrections to Extended Coupled-Cluster Energies Employing the Generalized Method of Moments of Coupled-Cluster Equations, Molecular Physics, vol. 103, no. 15 & 16, pp. 2191-2213, 2005.
T. Luo and Lloyd, J. R., Non-Equilibrium Molecular Dynamics Study of Thermal Energy Transport in Au-SAM-Au Junctions, Int. J. of Heat and Mass Transfer, vol. 53, 2010.
W. G. Misch, Brown, B. A., and Fuller, G. M., Neutrino-pair emission from hot nuclei during stellar collapse, PHYSICAL REVIEW C, vol. 88, 2013.
R. A. Sen'kov, Horoi, M., and Brown, B. A., Neutrinoless double-β decay of 82Se in the shell model: Beyond the closure approximation, PHYSICAL REVIEW C, vol. 89, 2014.
B. D. Smith, Hallman, E. J., Shull, J. M., and O'Shea, B. W., The Nature of the Warm/Hot Intergalactic Medium. I. Numerical Methods, Convergence, and O VI Absorption, \apj, vol. 731, p. 6-+, 2011.
C. T. Richardson, Baldwin, J. A., Ferland, G. J., Loh, E. D., Kuehn, C. A., Fabian, A. C., and Salomé, P., The nature of the H₂-emitting gas in the Crab nebula, \mnras, vol. 430, pp. 1257-1279, 2013.
J. Clune, Misevic, D., Ofria, C., Lenski, R. E., Elena, S. F., and Sanjuán, R., Natural selection fails to optimize mutation rates for long-term adaptation on rugged fitness landscapes, PLoS Computational Biology, vol. 4, p. e1000187, 2008.
M. Kulke, Weraduwage, S. M., Sharkey, T. D., and Vermaas, J. V., Nanoscale simulation of the thylakoid membrane response to extreme temperatures, Plant, Cell & Environment, vol. 46, no. 8, pp. 2419 - 2431, 2023.
D. Teich, Fthenakis, Z. G., Seifert, G., and Tománek, D., Nanomechanical energy storage in twisted nanotube ropes, Phys. Rev. Lett., vol. 109, p. 255501, 2012.
K. Chang, Kim, E., Weck, P. F., and Tománek, D., Nanoconfinement effects on the reversibility of hydrogen storage in ammonia borane: A first-principles study, J. Chem. Phys., vol. 134, p. 214501, 2011.
W. Li and Piecuch, P., Multi-level Extension of the Cluster-In-Molecule Local Correlation Methodology: Merging Coupled-Cluster and Moller-Plesset Perturbation Theories, Journal of Physical Chemistry A, vol. 114, no. 24, pp. 6721-6727, 2010.
M. Djokic and Mendoza-Cortes, J. L., Multi-Binding Sites United in Covalent-Organic Frameworks (MSUCOF) for H2 Storage and Delivery at Room Temperature, Energy & Fuels, 2023.
E. Savory, Adhikari, B., Hamilton, J. P., Vaillancourt, B., Buell, C. R., and Day, B., mRNA-Seq analysis of the Pseudoperonospora cubensis transcriptome during cucumber (Cucumis sativus L.) infection, PLoS ONE, in press, 2012.
J. V. Vermaas, Crowley, M. F., and Beckham, G. T., Molecular simulation of lignin-related aromatic compound permeation through gram-negative bacterial outer membranes, Journal of Biological Chemistry, vol. 298, no. 12, 2022.
T. Luo and Lloyd, J. R., Molecular dynamics study of thermal transport in GaAs-self-assembly monolayer-GaAs junctions with ab initio characterization of thiol-GaAs bonds, J. of App. Phys., vol. 109, 2011.
T. Luo and Lloyd, J. R., Molecular Dynamics Study of Thermal Transport in GaAs-SAM-GaAs Junctions with Ab-initio Characterization of Thiol-GaAs Bonds, J. of App. Phys., vol. 109, 2011.
N. V. Priezjev, Molecular dynamics simulations of oscillatory Couette flows with slip boundary conditions, Microfluidics and Nanofluidics, vol. 14, no. 1-2, 2013.
S. Tanizaki and Feig, M., Molecular Dynamics Simulations of Large Integral Membrane Proteins with an Implicit Membrane Model, The Journal of Physical Chemistry B, vol. 110, pp. 548–556, 2006.
N. V. Priezjev, Molecular diffusion and slip boundary conditions at smooth surfaces with periodic and random nanoscale textures, J. Chem. Phys., vol. 135, 2011.
A. Niavarani and Priezjev, N. V., Modeling the combined effect of surface roughness and shear rate on slip flow of simple fluids, Physical Review E, vol. 81, no. 1, 2010.
P. Piecuch, Kowalski, K., Pimienta, I. S. O., Fan, P. - D., Lodriguito, M. D., McGuire}, M. J. {, Kucharski, S. A., Kuś, T., and Musial, M., Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states, Theoretical Chemistry Accounts: Theory, Computation, and Modeling, vol. 112, pp. 349–393, 2004.
J. Pittner and Piecuch, P., Method of Moments for the Continuous Transition Between the Brillouin-Wigner-Type and Rayleigh-Schrodinger-Type Multireference Coupled Cluster Theories, Molecular Physics, vol. 107, no. 08-12, pp. 1209-1221, 2009.
S. Zeinali-Davarani and Baek, S., Medical image-based simulation of abdominal aortic aneurysm growth, Mechanics Research Communications, vol. 42, pp. 107–117, 2012.
P. Piecuch and Kinal, A., Is the Mechanism of the [2+2] Cycloaddition of Cyclopentyne to Ethylene Concerted or Biradical? A Completely Renormalized Coupled Cluster Study, The Journal of Physical Chemistry, vol. 110, no. 2, pp. 367-378, 2006.

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