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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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.
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. - D. Fan and Piecuch, P., Intriguing Accuracies of the Exponential Wave Function Expansions Exploiting Finite Two-Body Correlation Operators in Calculations for Many-Electron Systems, Journal of Molecular Structure: THEOCHEM, vol. 768, no. 1-3, pp. 3-16, 2006.
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.
P. - D. Fan and Piecuch, P., The Usefulness of Exponential Wave Function Expansions Employing One- and Two-Body Cluster Operators in Electronic Structure Theory: The Extended and Generalized Coupled-Cluster Methods, Advances in Quantum Chemistry, vol. 51, pp. 1-57, 2006.
2010
A. Panahi and Feig, M., Conformational Sampling of Influenza Fusion Peptide in Membrane Bilayers as a Function of Termini and Protonation States, Journal of Physical Chemistry B, vol. 114, pp. 1407-1416, 2010.
M. Feig, Gebreyohannes, K., and McGuffin, V., Conformational Sampling of S- and R-Warfarin in Polar Solvents: Implications for Stereoselective Complex Formation, Journal of Molecular Structure (Theochem), vol. 949, no. 1-3, pp. 41-51, 2010.
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., 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.
M. Sayadi, Tanizaki, S., and Feig, M., Effect of membrane thickness on conformational sampling of phospholamban from computer simulations, Biophysical Journal, vol. 98, no. 5, pp. 805-814, 2010.
K. Belczynski, Holz, D. E., Fryer, C. L., Berger, E., Hartmann, D. H., and O'Shea, B. W., On the Origin of the Highest Redshift Gamma-Ray Bursts, \apj, vol. 708, pp. 117-126, 2010.
S. M. Gopal, Mukherjee, S., Cheng, Y. - M., and Feig, M., PRIMO/PRIMONA: A coarse-grained model for proteins and nucleic acids that preserves near-atomistic accuracy, Proteins: Structure, Function, and Bioinformatics, vol. 78, no. 5, pp. 1266-1281, 2010.
2012
R. Bouwens, Bradley, L., Zitrin, A., Coe, D., Franx, M., Zheng, W., Smit, R., Host, O., Postman, M., Moustakas, L., Labbe, I., Carrasco, M., Molino, A., Donahue, M., Kelson, D. D., Meneghetti, M., Jha, S., Benitez, N., Lemze, D., Umetsu, K., Broadhurst, T., Moustakas, J., Rosati, P., Bartelmann, M., Ford, H., Graves, G., Grillo, C., Infante, L., Jiminez-Teja, Y., Jouvel, S., Lahav, O., Maoz, D., Medezinski, E., Melchior, P., Merten, J., Nonino, M., Ogaz, S., and Seitz, S., A Census of Star-Forming Galaxies in the z~9-10 Universe based on HST+Spitzer Observations Over 19 CLASH clusters: Three Candidate z~9-10 Galaxies and Improved Constraints on the Star Formation Rate Density at z~9.2, Astrophysical Journal, 2012.
R. Bouwens, Bradley, L., Zitrin, A., Coe, D., Franx, M., Zheng, W., Smit, R., Host, O., Postman, M., Moustakas, L., Labbe, I., Carrasco, M., Molino, A., Donahue, M., Kelson, D. D., Meneghetti, M., Jha, S., Benitez, N., Lemze, D., Umetsu, K., Broadhurst, T., Moustakas, J., Rosati, P., Bartelmann, M., Ford, H., Graves, G., Grillo, C., Infante, L., Jiminez-Teja, Y., Jouvel, S., Lahav, O., Maoz, D., Medezinski, E., Melchior, P., Merten, J., Nonino, M., Ogaz, S., and Seitz, S., A Census of Star-Forming Galaxies in the z~9-10 Universe based on HST+Spitzer Observations Over 19 CLASH clusters: Three Candidate z~9-10 Galaxies and Improved Constraints on the Star Formation Rate Density at z~9.2, Astrophysical Journal, 2012.

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