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.
“Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian”, The Journal of Chemical Physics, vol. 123, no. 22, pp. 224105–10, 2005.
, “Relationships between intra-aggregate pore structures and distributions of Escherichia coli within soil macro-aggregates”, Applied Soil Ecology, vol. 63, pp. 134-142, 2013.
, “Relationship between induced fluid structure and boundary slip in nanoscale polymer films”, Physical Review E, vol. 82, 2010.
, “Rate-dependent slip boundary conditions for simple fluids”, Physical Review E, vol. 75, no. 5, p. 51605, 2007.
, “A rare earth metallocene containing a 2{,}2′-azopyridyl radical anion”, Chem. Sci., p. -, 2021.
, “Protecting the Amazon with Protected Areas”, PNAS, vol. 106, 2009.
, “The Properties of X-ray Cold Fronts in a Statistical Sample of Simulated Galaxy Clusters”, \apj, vol. 725, pp. 1053-1068, 2010.
, “A Process-Based, Distributed Hydrologic Model Based on a Large-Scale Method for Surface - Subsurface Coupling, Advances in Water Resources”, Advances in Water Resources, vol. 33, 2010.
, “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.
, “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.
, “Physics of bandgap formation in Cu–Sb–Se based novel thermoelectrics: the role of Sb valency and Cu d levels”, IOP Science, vol. 24, no. 41, 2012.
, “On the Performance of Indirect Encoding Across the Continuum of Regularity”, IEEE Transactions on Evolutionary Computation, 2011.
, “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.
, “A Parallel Space-Time Algorithm”, SIAM Journal on Scientific Computing, vol. 34, no. 5, pp. C233 - C248, 2012.
, “Parallel High-Order Integrators”, SIAM Journal on Scientific Computing, vol. 32, no. 2, pp. 818 - 835, 2010.
, “On the Origin of the Highest Redshift Gamma-Ray Bursts”, \apj, vol. 708, pp. 117-126, 2010.
, “Oceanic plateau of the Hawaiian mantle plume head subducted to the uppermost lower mantle”, Science, vol. 370, pp. 983–987, 2020.
, “Numerical Study of High Speed Evaporating Sprays”, International Journal of Multiphase Flow, vol. 70, 2015.
, “Numerical Investigations of Shock Wave Interactions with a Supersonic Turbulent Boundary Layer”, Physics of Fluids, vol. 26, no. 5, 2014.
, “Nuclear Structure Calculations with Coupled-Cluster Methods from Quantum Chemistry”, Nuclear Physics A, vol. 752, pp. 299-308, 2005.
, “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.
, “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.
, “Non-Equilibrium Molecular Dynamics Study of Thermal Energy Transport in Au-SAM-Au Junctions”, Int. J. of Heat and Mass Transfer, vol. 53, 2010.
, “Neutrino-pair emission from hot nuclei during stellar collapse”, PHYSICAL REVIEW C, vol. 88, 2013.
, “Neutrinoless double-β decay of 82Se in the shell model: Beyond the closure approximation”, PHYSICAL REVIEW C, vol. 89, 2014.
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