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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Book Chapter
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.
Journal Article
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.
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.
A. Zitrin, Moustakas, J., Bradley, L., Coe, D., Moustakas, L. A., Postman, M., Shu, X., Zheng, W., Benítez, N., Bouwens, R., Broadhurst, T., Ford, H., Host, O., Jouvel, S., Koekemoer, A., Meneghetti, M., Rosati, P., Donahue, M., Grillo, C., Kelson, D., Lemze, D., Medezinski, E., Molino, A., Nonino, M., and Ogaz, S., “CLASH: Discovery of a Bright z ~= 6.2 Dwarf Galaxy Quadruply Lensed by MACS J0329.6-0211”, The Astrophysical Journal Letters, vol. 747, no. 1, 2012.
K. Umetsu, Medezinski, E., Nonino, M., Merten, J., Zitrin, A., Molino, A., Grillo, C., Carrasco, M., Donahue, M., Mahdavi, A., Coe, D., Postman, M., Koekemoer, A., Czakon, N., Sayers, J., Mroczkowski, T., Golwala, S., Koch, P. M., Lin, K. - Y., Molnar, S. M., Rosati, P., Balestra, I., Mercurio, A., Scodeggio, M., Biviano, A., Anguita, T., Infante, L., Seidel, G., Sendra, I., Jouvel, S., Host, O., Lemze, D., Broadhurst, T., Meneghetti, M., Moustakas, L., Bartelmann, M., Benítez, N., Bouwens, R., Bradley, L., Ford, H., Jiménez-Teja, Y., Kelson, D., Lahav, O., Melchior, P., Moustakas, J., Ogaz, S., Seitz, S., and Zheng, W., “CLASH: Mass Distribution in and around MACS J1206.2-0847 from a Full Cluster Lensing Analysis”, The Astrophysical Journal, vol. 755, no. 1, 2012.
A. Zitrin, Rosati, P., Nonino, M., Grillo, C., Postman, M., Coe, D., Seitz, S., Eichner, T., Broadhurst, T., Jouvel, S., Balestra, I., Mercurio, A., Scodeggio, M., Benítez, N., Bradley, L., Ford, H., Host, O., Jimenez-Teja, Y., Koekemoer, A., Zheng, W., Bartelmann, M., Bouwens, R., Czoske, O., Donahue, M., Graur, O., Graves, G., Infante, L., Jha, S., Kelson, D., Lahav, O., Lazkoz, R., Lemze, D., Lombardi, M., Maoz, D., McCully, C., Medezinski, E., Melchior, P., Meneghetti, M., Merten, J., Molino, A., Moustakas, L. A., Ogaz, S., Patel, B., Regoes, E., Riess, A., Rodney, S., Umetsu, K., and Van der Wel, A., “CLASH: New Multiple Images Constraining the Inner Mass Profile of MACS J1206.2-0847”, The Astrophysical Journal, vol. 749, no. 2, 2012.
D. Coe, Umetsu, K., Zitrin, A., Donahue, M., Medezinski, E., Postman, M., Carrasco, M., Anguita, T., Geller, M. J., Rines, K. J., Diaferio, A., Kurtz, M. J., Bradley, L., Koekemoer, A., Zheng, W., Nonino, M., Molino, A., Mahdavi, A., Lemze, D., Infante, L., Ogaz, S., Melchior, P., Host, O., Ford, H., Grillo, C., Rosati, P., Jiménez-Teja, Y., Moustakas, J., Ascaso, B., Lahav, O. ;, Bartelmann, M., Benítez, N., Bouwens, R., Graur, O., Graves, G., Jha, S., Jouvel, S., Kelson, D., Moustakas, L., Maoz, D., Meneghetti, M., Merten, J., Riess, A., Rodney, S., and Seitz, S., “CLASH: Precise New Constraints on the Mass Profile Galaxy Cluster A2261”, The Astrophysical Journal, vol. 757, no. 1, 2012.
A. Zitrin, Meneghetti, M., Umetsu, K., Broadhurst, T., Bartelmann, M., Bouwens, R., Bradley, L., Carrasco, M., Coe, D., Ford, H., Kelson, D., Koekemoer, A. M., Medezinski, E., Moustakas, J., Moustakas, L. A., Nonino, M., Postman, M., Rosati, P., Seidel, G., Seitz, S., Sendra, I., Shu, X., Vega, J., and Zheng, W., “CLASH: The Enhanced Lensing Efficiency of the Highly Elongated Merging Cluster MACS J0416.1-2403”, The Astrophysical Journal Letters, vol. 762, 2013.
A. Zitrin, Meneghetti, M., Umetsu, K., Broadhurst, T., Bartelmann, M., Bouwens, R., Bradley, L., Carrasco, M., Coe, D., Ford, H., Kelson, D., Koekemoer, A. M., Medezinski, E., Moustakas, J., Moustakas, L. A., Nonino, M., Postman, M., Rosati, P., Seidel, G., Seitz, S., Sendra, I., Shu, X., Vega, J., and Zheng, W., “CLASH: The Enhanced Lensing Efficiency of the Highly Elongated Merging Cluster MACS J0416.1-2403”, The Astrophysical Journal Letters, vol. 762, no. 2, 2013.
D. Coe, Zitrin, A., Carrasco, M., Shu, X., Zheng, W., Postman, M., Bradley, L., Koekemoer, A., Bouwens, R., Broadhurst, T., Monna, A., Host, O., Moustakas, L. A., Ford, H., Moustakas, J., van der Wel, A., Donahue, M., Rodney, S. A., Ben{\'ıtez, N., Jouvel, S., Seitz, S., Kelson, D. D., and Rosati, P., “CLASH: Three Strongly Lensed Images of a Candidate z 11 Galaxy”, The Astrophysical Journal, vol. 762, 2013.
D. Coe, Zitrin, A., Carrasco, M., Shu, X., Zheng, W., Postman, M., Bradley, L., Koekemoer, A., Bouwens, R., Broadhurst, T., Monna, A., Host, O., Moustakas, L. A., Ford, H., Moustakas, J., van der Wel, A., Donahue, M., Rodney, S. A., Benítez, N., Jouvel, S., Seitz, S., Kelson, D. D., and Rosati, P., “CLASH: Three Strongly Lensed Images of a Candidate z~11 Galaxy”, The Astrophysical Journal, vol. 762, no. 1, 2013.
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.
Z. G. Fthenakis and Tománek, D., “Computational study of the thermal conductivity in defective carbon nanostructures”, Phys. Rev. B, vol. 86, p. 125418, 2012.
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.
M. B. Tsang, Zhang, Y., Danielewicz, P., Famiano, M., Li, Z., Lynch, W. G., and Steiner, A. W., “Constraints on the Density Dependence of the Symmetry Energy”, Physical Review Letters, vol. 102, p. 122701, 2009.
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.
T. Zheng, Feng, S., Davis, K. J., Pal, S., and Morguí, J. - A., “Development and evaluation of CO2 transport in MPAS-A v6.3”, Geoscientific Model Development, vol. 14, pp. 3037–3066, 2021.
G. Janson, Valdes-Garcia, G., Heo, L., and Feig, M., “Direct generation of protein conformational ensembles via machine learning”, vol. 14, no. 1, p. 774, 2023.
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.
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.
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.

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