Publications from the CNF cluster

Interested in using the CNF cluster for your own work?  Please contact Derek Stewart (stewart@cnf.cornell.edu) for information on how to get started.

• J. Feng, W. Grochala, T. Jaron, R. Hoffman, A. Bergara, and N. W. Ashcroft, "Structures and Potential Superconductivity in SiH4 at High Pressure: En Route to Metallic Hydrogen", Physical Review Letters, 96, 017006 (2006).
• A. Gondarenko, S. Preble, J. Robinson, L. Chen, H. Lipson, and M. Lipson, "Spontaneous Emergence of Periodic Patterns in a Biologically Inspired Simulation of Photonic Structures", Physical Review Letters, 96, 143904 (2006)
• K. J. Donald and R. Hoffmann, "Solid Memory: Structure Preferences in Group 2 Dihalide Monomers, Dimers, and Solids", Journal of the American Chemical Society (JACS), 128, 11236 (2006)
• A. H. Edwards, A. C. Pineda, P. A. Schultz, M. G. Martin, A. P. Thompson, H. P. Hjalmarson, and C. J. Umrigar, "Electronic structure of intrinsic defects in crystalline germanium telluride", Physical Review B, 73, 045210 (2006).
• A. Ghosal, A. D. Guclu, C. J. Umrigar, D. Ullmo, and H. U. Baranger, "Correlation-induced inhomogeneity in circular quantum dots", Nature Physics, 2, 336 (2006)
• J. Hachmann, W. Cardoen, and G. K-L. Chan, "Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group", Journal of Chemical Physics, 125, 144101 (2006)
• J. Toulouse, C. J. Umrigar, "Optimization of quantum Monte Carlo wave functions by energy minimization", Journal of Chemical Physics, 126, 084102 (2007)
• M. Prakash and E. P. Giannelis, "Mechanism of heat transport in nanofluids", Journal of Computer-Aided Material Design, 14, 109 (2007)
• D. A. Stewart, "Magnetism in Coaxial Palladium Nanowires", Journal of Applied Physics, 101, 09D503 (2007)
• C. J. Umrigar, J. Toulouse, C. Filippi, S. Sorella, R. G. Hennig, "Alleviation of the Fermion-sign problem by optimization of many-body wave functions", Physical Review Letters, 98, 110201 (2007)
• J. Toulouse, R. Assaraf, C. J. Umrigar, "Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density", Journal of Chemical Physics, 126, 244112 (2007)
• M. R. Lee and P. M. Fauchet, "Two-dimensional silicon photonic crystal based biosensing platform for protein detection", Optics Express, 15, 4530 (2007)
• G. Merino, K. J. Donald, J. D'Acchioli, and R. Hoffmann, "The Many Ways to Have a Quintuple Bond", Journal of the American Chemical Society (JACS), 129, 15295 (2007)
• D. A. Broido, M. Malorny, G. Birner, N. Mingo, and D. A. Stewart, "Intrinsic lattice thermal conductivity of semiconductors from first principles", Applied Physics Letters, 91, 231922 (2007)
• N. Mingo, D. A. Stewart, D. A. Broido, and D. Srivastava, "Phonon transmission through defects in carbon nanotubes from first principles", Physical Review B, 77, 033418 (2008).
• J. Toulouse and C. J. Umrigar, "Full optimization of Jastrow-Slater wave functions with applications to the first-row atoms and homonuclear diatomic molecules", Journal of Chemical Physics, 128, 174101 (2008)
• D. A. Stewart, "Ab-initio investigation of phonon dispersion and anomalies in palladium", New Journal of Physics, 10, 043025 (2008).
• E. K. Yu, D. A. Stewart, and S. Tiwari, "Ab-initio study of polarizability and induced charge densities in multilayer graphene films", Physical Review B, 77, 195406 (2008).