596 citations
- Sandia National Laboratories CaliforniaUS28 papers
- Los Alamos National LaboratoryUS7 papers
- Princeton UniversityUS6 papers
- University of Maryland, College ParkUS5 papers
- Johannes Kepler University of LinzAT4 papers
- United States Naval Research LaboratoryUS4 papers
- Centre National de la Recherche ScientifiqueFR3 papers
- Energetics (United States)US3 papers
- Imperial College LondonGB3 papers
- Institute of PhysicsPL3 papers
- Laboratory for Laser EnergeticsUS3 papers
- Lawrence Berkeley National LaboratoryUS3 papers
4 papers · 1 filter
Tuning structure and mobility of solvation shells surrounding tracer additives
James Carmer, Avni Jain, Jonathan A. Bollinger +2
Molecular dynamics simulations and a stochastic Fokker-Planck equation based approach are used to illuminate how position-dependent solvent mobility near one or more tracer particl…
Ion-dipole interactions are asymptotically unscreened by water in dipolar nanopores, yielding patterned ion distributions
Kevin Leung
The permeation, rejection, and transport of electrolytes in water-filled nanopores are critical to ion current gating and desalinalion processes in synthetic porous membranes and t…
Ab initio molecular dynamics study of manganese porphine hydration and interaction with nitric oxide
Kevin Leung, Craig J. Medforth
The authors use ab initio molecular dynamics and the density functional theory+U (DFT+U) method to compute the hydration environment of the manganese ion in manganese (II) and mang…
Insights into the Second Law of Thermodynamics from Anisotropic Gas-Surface Interactions
S. L. Miller
Thermodynamic implications of anisotropic gas-surface interactions in a closed molecular flow cavity are examined. Anisotropy at the microscopic scale, such as might be caused by r…