Y. Guo, C. Wassgren, B. Hancock, W. Ketterhagen, J. Curtis. Granular shear flows of flat disks and elongated rods with and without friction Physics of Fluids, 2013-05-01 Abstract: Granular shear flows of flat disks and elongated rods are simulated using… Read More

Y. Guo, C. Wassgren, W. Ketterhagen, B. Hancock, B. James, J. Curtis. A numerical study of granular shear flows of rod-like particles using the discrete element method Journal of Fluid Mechanics, 2012-12-01 Abstract: The effect of particle aspect ratio and… Read More

Y. Guo, C. Wassgren, W. Ketterhagen, B. Hancock, J. Curtis. Some computational considerations associated with discrete element modelling of cylindrical particles Powder Technology, 2012-09-01 Abstract: In this short communication, an efficient coarse contact detection scheme for large aspect ratio particles… Read More

Valentin V. Karasiev*, Travis Sjostrom, James Dufty, and S. B. Trickey. Accurate Homogeneous Electron Gas Exchange-Correlation Free Energy for Local Spin-Density Calculations PHYSICAL REVIEW LETTERS 112, 076403 (2014), 2014-02-20 Abstract: An accurate analytical parametrization for the exchange-correlation free energy of… Read More

Christine D. Bacon, François Michonneau, Andrew J. Henderson, Miles J. McKenna, Arwen M. Milroy, and Mark P. Simmons. Geographic and Taxonomic Disparities in Species Diversity: Dispersal and Diversification Rates Across Wallace’s Line  EVOLUTION, 2013-12-05 Abstract: Broad-scale patterns of species diversity… Read More

Mollie E. Brooks, Michael W. McCoy, Benjamin M. Bolker. A Method for Detecting Positive Growth Autocorrelation without Marking Individuals PLOS ONE, 2013-10-28 Abstract: In most ecological studies, within-group variation is a nuisance that obscures patterns of interest and reduces statistical… Read More

Valentin V. Karasiev, Debajit Chakraborty, Olga A. Shukruto, and S.B. Trickey. Non-empirical generalized gradient approximation free-energy functional for orbital-free simulations PHYSICAL REVIEW B 88, 161108(R) (2013), 2013-10-28 Abstract: We report a purely non-empirical generalized gradient approximation for the non-interacting free… Read More

Pengfei Li, Benjamin Paul Roberts, Dhruva Kumar Chakravorty, and Kenneth Malcolm Merz. Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal… Read More

Dhruva K. Chakravorty, Bing Wang, Chul Won Lee, Alfredo J. Guerra, David P. Giedroc, Kenneth M. Merz Jr.. Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methods Journal of Biomolecular NMR, 2013-05-14… Read More

Mengxing Cheng and Kevin Ingersent . Quantum phase transitions in a pseudogap Anderson-Holstein model Phys. Rev. B 87, 075145 (2013), 2013-02-26 Abstract: We study a pseudogap Anderson-Holstein model of a magnetic impurity level that hybridizes with a conduction band whose… Read More