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2006

Janotti A., Segev D., Van de Walle C.G. 2006. Effects of cation d states on III-nitride and II-oxide wide-band-gap semiconductors. Physical Review B. 74:45202.

Wei G., Shea J.-E. 2006. Effects of solvent on the structure of the Alzheimer amyloid-b(25-35) peptide. Biophys. J.. 91:1638.

Friedel M., Baumketner A., Shea J.-E.. 2006. Effects of surface tethering on protein folding mechanisms. Proc. Nat. Acad. Sci. USA. 103:8396-8401.

Segev D., Van de Walle C.G. 2006. Electronic structure of nitride surfaces. Journal of Crystal Growth, First International Symposium on Growth of Nitrides - ISGN-1. 300:199-203.

Baumketner A., Shea J.-E.. 2006. Folding landscapes of the Alzheimer A\beta12-28 peptide from all-atom replica exchange molecular dynamics simulations in explicit solvent. J. Mol. Biol.. 362:567-579.

Liu P., Custodio S., Archuleta R.J. 2006. Kinematic Inversion of the 2004 Mw 6.0 Parkfield Earthquake. Bulletin of the Seismological Society of America. 96:Jan-37.

Janotti A., Van de Walle C.G. 2006. New insights into the role of native point defects in ZnO. Journal of Crystal Growth. 287:58-65.

Motrunich O.I. 2006. Orbital magnetic field effects in spin liquid with spinon Fermi sea: Possible application to kappa-(ET)2 Cu2 (CN)3. Phys. Rev. B. 73:155115.

Segev D., Van de Walle C.G. 2006. Origins of Fermi-level pinning on GaN and InN polar and nonpolar surfaces. Europhys. Lett.. 76:305.

Liu P., Archuleta R.J, Hartzell S.H. 2006. Prediction of Broadband Ground-Motion Time Histories: Hybrid Low/High- Frequency Method with Correlated Random Source Parameters. Bulletin of the Seismological Society of America. 96:2118-2130.

Baumketner A., Bernstein S.L, Wyttenbach T., Lazo N.D, Teplow D.B, Bowers M.T, Shea J.-E.. 2006. Structure of the 21-30 fragment of amyloid Beta protein. Protein Science. 15:1239.

Baumketner A., Shea J.-E.. 2006. The thermodynamics of folding of a beta hairpin peptide probed through replica exchange molecular dynamics simulations. Theor. Chem. Acc.. 116:262.

2005

Custodio S., Liu P., Archuleta R.J. 2005. 2004 Mw 6.0 Parkfield, California, earthquake: Inversion of Near-Source Ground Motion Using Different Datasets. Geophysical Research Letters. 32:L23312.

Griffin M., Friedel M., Shea J.E.. 2005. Effects of frustration, confinement, and surface interactions on the dimerization of an off-lattice beta-barrel protein. J. Chem. Phys.. 123:174707.

Bernard C., Burch T., DeTar C., Gottlieb S., Heller U.M., Hetrick J., Levkova L., Maresca F., Renner D., Sugar R. et al.. 2005. The Equation of State for QCD with 2+1 Flavors of Quarks, The MILC Collaboration. Proceedings of Science. (Lattice 2005):156.

Baumketner A., Shea J.-E.. 2005. Free Energy Landscapes for Amyloidogenic Tetrapeptides Dimerization. Biophysical Journal. 89:1493-1503.

Baumketner A., Shea J.-E.. 2005. The influence of different treatments of electrostatic interactions on the thermodynamics of folding of peptides. J. Phys. Chem. B. 109:21322.

Janotti A., Van de Walle C.G. 2005. Oxygen vacancies in ZnO. Applied Physics Letters. 87:122102.

O’Sullivan M.E., Brevik J., Wolski R.. 2005. The Performance of LDPC codes with Large Girth. Proc. 43rd Allerton Conference on Communication. Control and Computing:Univ.Illinois,Aug..

Hammond M.R, Cochran E.W, Fredrickson G.H, Kramer E.J. 2005. Temperature Dependence of Order, Disorder, and Defects in Laterally Con?ned Diblock Copolymer Cylinder Monolayers Macromolecules. 38(15):6575äóñ6585.

Hammond M.R, Cochran E.W, Fredrickson G.H, Kramer E.J. 2005. Thermal equilibrium defects in laterally confined monolayers of block copolymer cylinders. Polymer Preprints (American Chemical Society, Division of Polymer Chemistry). 46(2):576äóñ577.

Motrunich O.I. 2005. Variational study of triangular lattice spin-1/2 model with ring exchanges and spin liquid state in kappa-(ET)2 Cu2 (CN)3. Phys. Rev. B. 72:45105.

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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.