Joseph C. Fogarty

Learn More
Molecular dynamics modeling has provided a powerful tool for simulating and understanding diverse systems – ranging from materials processes to biophysical phenomena. Parallel formulations of these methods have been shown to be among the most scalable scientific computing applications. Many instances of this class of methods rely on a static bond structure(More)
We report our study of a silica-water interface using reactive molecular dynamics. This first-of-its-kind simulation achieves length and time scales required to investigate the detailed chemistry of the system. Our molecular dynamics approach is based on the ReaxFF force field of van Duin et al. [J. Phys. Chem. A 107, 3803 (2003)]. The specific ReaxFF(More)
Molecular Simulation (MS) is a powerful tool for studying physical/chemical features of large systems and has seen applications in many scientific and engineering domains. During the simulation process, the experiments generate a very large number of atoms and intend to observe their spatial and temporal relationships for scientific analysis. The sheer data(More)
(2016). Investigating dark matter substructure with pulsar timing-I. Constraints on ultracompact minihaloes. Monthly Notices of the Royal Astronomical Society, 456(2). <a href=" Comparing the observable properties of dwarf galaxies on and off the andromeda plane. (2015). Investigating dark matter substructure with pulsar timing-II. Improved limits on(More)
We have developed an automated parameter optimization software framework (ParOpt) that implements the Nelder-Mead simplex algorithm and applied it to a coarse-grained polarizable water model. The model employs a tabulated, modified Morse potential with decoupled short- and long-range interactions incorporating four water molecules per interaction site.(More)
Structure and electronic properties of a benzene-water solution Nanoscale density fluctuations in swift heavy ion irradiated amorphous SiO2 Note: Scale-free center-of-mass displacement correlations in polymer films without topological constraints and momentum conservation A new Monte Carlo method for getting the density of states of atomic cluster systems(More)
  • 1