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(Desc)] Year
Journal Article
S. Zeinali-Davarani and Baek, S., Medical image-based simulation of abdominal aortic aneurysm growth, Mechanics Research Communications, vol. 42, pp. 107–117, 2012.
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.
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.
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.
N. V. Priezjev, Molecular diffusion and slip boundary conditions at smooth surfaces with periodic and random nanoscale textures, J. Chem. Phys., vol. 135, 2011.
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 dynamics simulations of oscillatory Couette flows with slip boundary conditions, Microfluidics and Nanofluidics, vol. 14, no. 1-2, 2013.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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, Dean, D. J., Gour, J. R., Hagen, G., Hjorth-Jensen}, M. {, Kowalski, K., Papenbrock, T., and Wloch, M., Nuclear Structure Calculations with Coupled-Cluster Methods from Quantum Chemistry, Nuclear Physics A, vol. 752, pp. 299-308, 2005.

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