| Structural Survey of Zinc Containing Proteins and the Development of the Zinc AMBER Force Field (ZAFF) | Journal of Chemical Theory and Computation | 2010 | 275 |
| Transition metal adatom and dimer adsorbed on graphene: Induced magnetization and electronic structures | Physical Review B | 2010 | 217 |
| Light non-metallic atom (B, N, O and F)-doped graphene: a first-principles study | Nanotechnology | 2010 | 184 |
| Spin fluctuations and superconductivity in a three-dimensional tight-binding model for BaFe2As2 | Physical Review B | 2010 | 180 |
| Persistent photoinduced magnetism in heterostructures of prussian blue analogues | Journal of the American Chemical Society | 2010 | 132 |
| Sensitivity of the superconducting state and magnetic susceptibility to key aspects of electronic structure in ferropnictides | New Journal of Physics | 2010 | 123 |
| Electronic junction control in a nanotube-semiconductor Schottky junction solar cell | Nano Letters | 2010 | 119 |
| Divide-and-Conquer Hartree-Fock Calculations on Proteins | Journal of Chemical Theory and Computation | 2010 | 117 |
| Magnetic quantum tunneling: insights from simple molecule-based magnets | Dalton Transactions | 2010 | 116 |
| High-order post-Newtonian fit of the gravitational self-force for circular orbits in the Schwarzschild geometry | Physical Review D | 2010 | 110 |
| Transport and elastic scattering times as probes of the nature of impurity scattering in single-layer and bilayer graphene | Physical Review Letters | 2010 | 109 |
| Solvent viscosity and friction in protein folding dynamics | Current Protein and Peptide Science | 2010 | 104 |
| Low-threshold analysis of CDMS shallow-site data | Physical Review D | 2010 | 92 |
| Exchange Often and Properly in Replica Exchange Molecular Dynamics | Journal of Chemical Theory and Computation | 2010 | 89 |
| How grain boundaries limit supercurrents in high-temperature superconductors | Nature Physics | 2010 | 84 |
| Field-induced Tomonaga-Luttinger liquid phase of a two-leg spin-1/2 ladder with strong leg interactions | Physical Review Letters | 2010 | 84 |
| Post-Newtonian and numerical calculations of the gravitational self-force for circular orbits in the Schwarzschild geometry | Physical Review D | 2010 | 83 |
| High current, low voltage carbon nanotube enabled vertical organic field effect transistors | Nano Letters | 2010 | 81 |
| Variational fitting methods for electronic structure calculations | Molecular Physics | 2010 | 80 |
| Relaxation of Photoexcited Electrons at a Nanostructured Si(111) Surface | Journal of Physical Chemistry Letters | 2010 | 78 |
| Dark matter particle spectroscopy at the LHC: generalizing M T2 to asymmetric event topologies | Journal of High Energy Physics | 2010 | 78 |
| Electronic structure of substitutionally Mn-doped graphene | New Journal of Physics | 2010 | 75 |
| Raman study of phonon modes in bismuth pyrochlores | Physical Review B | 2010 | 73 |
| Limits of Free Energy Computation for Protein-Ligand Interactions | Journal of Chemical Theory and Computation | 2010 | 72 |
| Titanium-decorated graphene for high-capacity hydrogen storage studied by density functional simulations | Journal of Physics Condensed Matter | 2010 | 68 |
