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.

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G. A. Ranepura, Mao, J., Vermaas, J. V., Wang, J., Gisriel, C. J., Wei, R. Judy, Ortiz-Soto, J., Uddin, M. Raihan, Amin, M., Brudvig, G. W., and Gunner, M. R., Computing the Relative Affinity of Chlorophylls a and b to Light-Harvesting Complex II, The Journal of Physical Chemistry B, vol. 127, no. 51, pp. 10974 - 10986, 2023.
Z. Rak, Mahanti, S. D., Mandal, K. C., and Fernelius, N. C., Electronic structure of substitutional defects and vacancies in GaSe, Journal of Physics and Chemistry of Solids, vol. 70, no. 2, pp. 344 - 355, 2009.
Z. Rak, Mahanti, S. D., Mandal, K. C., and Fernelius, N. C., Doping dependence of electronic and mechanical properties of GaSe_{1−x}Te_{x} and Ga_{1−x}In_{x}Se from first principles, Physical Review B, vol. 82, no. 15, 2010.
Z. Rak, Mahanti, S. D., and Mandal, K. C., Ab Initio Studies of Hydrogen Defects in CdTe, Journal of Electronic Materials, vol. 38, no. 8, pp. 1539 - 1547, 2009.
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.
Z. Rak, Mahanti, S. D., Mandal, K. C., and Fernelius, N. C., Defect-induced rigidity enhancement in layered semiconductors, Solid State Communications, vol. 150, no. 27-28, pp. 1200 - 1203, 2010.
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, p. 015504, 2009.
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E. R. Pugliese, Benner, F., Castellanos, E., Delano, F., and Demir, S., Heteroleptic Rare-Earth Tris(metallocenes) Containing a Dibenzocyclooctatetraene Dianion, Inorganic Chemistry, vol. 61, no. 5, pp. 2444 - 2454, 2022.
N. V. Priezjev, Heterogeneous relaxation dynamics in amorphous materials under cyclic loading, Physical Review E, vol. 87, no. 5, 2013.
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.
N. V. Priezjev, Molecular dynamics simulations of oscillatory Couette flows with slip boundary conditions, Microfluidics and Nanofluidics, vol. 14, no. 1-2, 2013.
N. V. Priezjev, Relationship between induced fluid structure and boundary slip in nanoscale polymer films, Physical Review E, vol. 82, 2010.
N. V. Priezjev, Interfacial friction between semiflexible polymers and crystalline surfaces, J. Chem. Phys., vol. 136, 2012.
N. V. Priezjev, Molecular diffusion and slip boundary conditions at smooth surfaces with periodic and random nanoscale textures, J. Chem. Phys., vol. 135, 2011.
N. V. Priezjev, Rate-dependent slip boundary conditions for simple fluids, Physical Review E, vol. 75, no. 5, p. 51605, 2007.
N. V. Priezjev, Shear rate threshold for the boundary slip in dense polymer films, Phys. Rev. E, vol. 80, no. 3, p. 11 Pages, 2009.
C. G. Prichard and Bence, J. R., Estimating wounding of lake trout by sea lamprey in the upper Great Lakes: Allowing for changing size-specific patterns, Journal of Great Lakes Research, p. -, 2013.
J. Portman, Zhang, H., Makino, K., Ruan, C. Y., Berz, M., and Duxbury, P. M., Untangling the contributions of image charge and laser profile for optimal photoemission of high-brightness electron beams, Journal of Applied Physics, vol. 116, 2014.
I. Popov, Seifert, G., and Tománek, D., Designing Electrical Contacts to ${\mathrm{MoS}}_{2}$ Monolayers: A Computational Study, Phys. Rev. Lett., vol. 108, p. 156802, 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.
W. Pitchers, Pool, J. E., and Dworkin, I., ALTITUDINAL CLINAL VARIATION IN WING SIZE AND SHAPE IN AFRICAN DROSOPHILA MELANOGASTER: ONE CLINE OR MANY?, Evolution, vol. 67, pp. 438–452, 2012.
B. Pijanowski, Moore, N., Mauree, D., and Niyogi, D., Evaluating error propagation in coupled land-atmosphere models, Earth Interactions, vol. 15, 2011.
P. Piecuch, Wloch, M., Gour, J. R., and Kowalski, K., Extension of Renormalized Coupled-Cluster Methods Including Triple Excitations to Electronic States of Open-Shell Molecules, The Journal of Chemical Physics, vol. 122, no. 21, 2005.
P. Piecuch, Coussan, S., Ferro, Y., Trivella, A., Roubin, P., Wieczorek, R., Manca, C., Kowalski, K., Wloch, M., Kucharski, S., and Musial, M., Experimental and Theoretical UV Characterizations of Acetyloacetone and its Isomers, The Journal of Physical Chemistry A, vol. 110, no. 11, pp. 3920-3926, 2006.
P. Piecuch, Chaudhuri, R. K., Freed, K. F., Hose, G., Kowalski, K., Wloch, M., Chattopadhyay, S., Mukherjee, D., Rolik, R., Szabados, A., Toth, G., and Surjan, P. R., Comparison of Low-Order Multireference Many-Body Perturbation Theories, Journal of Chemical Physics, vol. 122, no. 13, p. 9 pages, 2005.

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