Publications
CNSI is providing scientific computing resources to the CNSI research community. Our resources have contributed to the publications listed on this page.
| List of Publications |
|---|
| S. H. Vanaparthy and E. Meiburg, "Variable Density and Viscosity, Miscible Displacements in Capillary Tubes". Submitted to J. Fluid Mech. |
| M. Friedel, A. Baumketner and J.-E. Shea, Effects of surface tethering on protein folding mechanisms, Proc. Nat. Acad. Sci. USA, 2006 103: 8396-8401 |
| Olexei I. Motrunich "Orbital magnetic field effects in spin liquid with spinon Fermi sea: Possible application to kappa-(ET)_2 Cu_2 (CN)_3", Phys. Rev. B 73, 155115 (2006) |
| A. Baumketner and J.-E. Shea "The influence of different treatments of electrostatic interactions on the thermodynamics of folding of peptides", J. Phys. Chem. B in press (2005) |
| A. Baumketner and J.-E. Shea "The thermodynamics of folding of a beta hairpin peptide probed through replica exchange molecular dynamics simulations", Theor. Chem. Acc. submitted (2005) |
| A. Baumketner and J.-E. Shea "Free energy landscapes for amyloidogenic tetrapeptides dimerization", Biophys J., in press (2005) |
| S. Chrétien and H. Metiu "Density functional study of the CO oxydation on a doped rutile TiO2(110): effects of ionic Au in catalysis" Catal. Lett. 107(3-4), 143(2006) |
| S. Chrétien and H. Metiu "Density functional study of the adsorption of oxygen on small bare Au clusters, Aun (n=1-2), and on Au clusters supported on rutile TiO2 (110): Are the bare anionic Au clusters a good model for catalysis?" To be submitted |
| S. Chrétien and H. Metiu "Density functional study of the oxidation of CO on Au2 supported on rutile TiO2 (110): effect of defects in catalysis" To be submitted |
| Custodio, S., P. Liu and R. J. Archuleta, "2004 Mw 6.0 Parkfield, California, earthquake: Inversion of Near-Source Ground Motion Using Different Datasets", Geophysical Research Letters. |
| M. Griffin, M. Friedel and J.E. Shea "Effects of frustration, confinement, and surface interactions on the dimerization of an off-lattice beta-barrel protein." (submitted to J. Chem. Phys) |
| K. Kahn, "Exploration of the conformational space of the Alzheimer Amyloid-beta(25-35) peptide in water and in HFIP/water mixture through replica exchange molecular dynamics simulations" (in preparation) |
| Liu, P., S. Custodio and R. J. Archuleta, "Kinematic Inversion of the 2004 Mw 6.0 Parkfield Earthquake", Buletin of the Seismological Society of America. |
| Olexei I. Motrunich "Variational study of triangular lattice spin-1/2 model with ring exchanges and spin liquid state in kappa-(ET)_2 Cu_2 (CN)_3" Phys. Rev. B 72, 045105 (2005) |
| M.E. O'Sullivan, J. Brevik, R. Wolski "The Performance of LDPC codes with Large Girth". Proc. 43rd Allerton Conference on Communication, Control and Computing}, Univ. Illinois, Aug., 2005, to appear. |
| V. Shapovalov and H. Metiu. "Effect of substitution of Ce with Au on reducibility of CeO)2) (111) surface." (in preparation) |
| P. Soto and J.E. Shea "Inhibition of Ab fibrillogenesis by N-methylated peptides" (In preparation). |
| P. Soto, A. Baumketner, J.E. Shea "Stability of conformational substates of a polyalanine dimer in a membrane-mimicking environment sampled with molecular dynamics simulations" (submitted to J Chem Phys) |
Acknowledgements
In talks and publications, please acknowlege the CNSI Computer Facilities as well as:
- Dell and SGI users: NSF grant no. CHE-0321368
- HP users: Hewlett-Packard
Please also send us the reference for your paper as we will need to collect a list for progress reports.