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 550 results:
Author Title Type [ Year(Asc)]
2023
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.
F. Delano, IV and Demir, S., “Guanidinate Rare-Earth Tetraphenylborate Complexes and Their Prospects in Single-Molecule Magnetism”, Crystal Growth & Design, vol. 23, no. 5, pp. 3134 - 3143, 2023.
E. Castellanos and Demir, S., “Linear, Electron-Rich, Homoleptic Rare Earth Metallocene and Its Redox Activity”, Inorganic Chemistry, vol. 62, no. 5, pp. 2095 - 2104, 2023.
S. Farhad Abdollahi, M. Kutay, E., and Ghazavi, M., “MatFEA: Efficient Finite Element Framework for Analyzing Pavement Structures With Nonlinear Unbound Materials”, Transportation Research Record, 2023.
2022
Z. Johnston, Wasik, S., Titus, R., Warren, M. K. L., O’Connor, E. P., Zegers, R., and Couch, S. M., “Comparison of Electron Capture Rates in the N = 50 Region using 1D Simulations of Core-collapse Supernovae”, The Astrophysical Journal, vol. 939, p. 15, 2022.
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.
F. Benner and Demir, S., “Isolation of the elusive bisbenzimidazole Bbim3−˙ radical anion and its employment in a metal complex”, Chemical Science, p. - , 2022.
R. Carmen And Ela, Raza, S., Heiden, P. A., Vermaas, J. V., and Ong, R. G., “Lignin Nanoparticle Morphology Depends on Polymer Properties and Solvent Composition: an Experimental and Computational Study”, ACS Applied Polymer Materials, vol. 4, no. 10, pp. 6925 - 6935, 2022.
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.
Z. Wang, Belecciu, T., Eaves, J., Reimers, M., Bachmann, M., and Woldring, D., “Phytochemical drug discovery for COVID-19 using high-resolution computational docking and machine learning assisted binder prediction”, Journal of Biomolecular Structure and Dynamics, pp. 1 - 21, 2022.
M. Kulke and Vermaas, J. V., “Reversible Unwrapping Algorithm for Constant-Pressure Molecular Dynamics Simulations”, Journal of Chemical Theory and Computation, vol. 18, no. 10, pp. 6161 - 6171, 2022.
E. Castellanos, Benner, F., and Demir, S., “Taming salophen in rare earth metallocene chemistry”, Inorg. Chem. Front., p. -, 2022.
2021
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.
N. C. G and Adami, C., “Information-theoretic characterization of the complete genotype-phenotype map of a complex pre-biotic world: Comment on “From genotypes to organisms: State-of-the-art and perspectives of a cornerstone in evolutionary dynamics” by Susanna Manrubia et al.”, Physics of Life Reviews, vol. 38, pp. 111-114, 2021.
R. Ringle, Bollen, G., Lund, K., Nicoloff, C., Schwarz, S., Sumithrarachchi, C. S., and Villari, A. C. C., “Particle-in-cell techniques for the study of space charge effects in the Advanced Cryogenic Gas Stopper”, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol. 496, pp. 61-70, 2021.
F. Delano IV, Castellanos, E., McCracken, J., and Demir, S., “A rare earth metallocene containing a 2{,}2′-azopyridyl radical anion”, Chem. Sci., p. -, 2021.
Y. Li, Zhang, Y., Tiffany, L. Anne, Chen, R., Cai, M., and Liu, J., “Synthesizing social and environmental sensing to monitor the impact of large-scale infrastructure development”, Environmental Science & Policy, vol. 124, pp. 527-540, 2021.
2020
D. Tian, Lv, M., S. Wei, S., Dorfman, S. M., and Shearer, P. M., “Global variations of Earth's 520- and 560-km discontinuities”, Earth and Planetary Science Letters, vol. 552, p. 116600, 2020.
A. D. Wright, Grant, E. H. Campbel, and Zipkin, E. F., “A hierarchical analysis of habitat area, connectivity, and quality on amphibian diversity across spatial scales”, vol. 35, no. 2, p. 529 - -544, 2020.
S. Shawn Wei, Shearer, P. M., Lithgow-Bertelloni, C., Stixrude, L., and Tian, D., “Oceanic plateau of the Hawaiian mantle plume head subducted to the uppermost lower mantle”, Science, vol. 370, pp. 983–987, 2020.
2017
T. D. Nguyen, Hawley, N., and Phanikumar, M. S., “Ice cover, winter circulation, and exchange in Saginaw Bay and Lake Huron”, Limnology and Oceanography, vol. 62, no. 1, 2017.
A. Safaie, Dang, C., Qiu, H., Radha, H., and Phanikumar, M. S., “Manifold methods for assimilating geophysical and meteorological data in Earth system models and their components”, Journal of Hydrology, vol. 544, 2017.
2015
F. A. Jaberi and Irannejad, A., “Numerical Study of High Speed Evaporating Sprays”, International Journal of Multiphase Flow, vol. 70, 2015.
B. Schuetrumpf and Nazarewicz, W., “Twist-averaged boundary conditions for nuclear pasta Hartree-Fock calculations”, vol. 92, pp. 045806-1 - 045806-6, 2015.
2014
D. T. Do and Mahanti, S. D., “Bonds, bands, and band gaps in tetrahedrally bonded ternary compounds: The role of group V lone pairs”, Journal of Physics and Chemistry of Solids, vol. 75, no. 4, 2014.

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