Representation of Ion–Protein Interactions Using the Drude Polarizable Force-Field
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journal
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September 2014 |
Molecular Dynamics Simulations of Water Structure and Diffusion in Silica Nanopores
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journal
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May 2012 |
Batteries for Efficient Energy Extraction from a Water Salinity Difference
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journal
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April 2011 |
On the Nature of ions at the Liquid Water Surface
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journal
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May 2006 |
A simple polarizable model of water based on classical Drude oscillators
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journal
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September 2003 |
Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation
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journal
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March 2015 |
Exploring Solid/Aqueous Interfaces with Ultradilute Electrokinetic Analysis of Liquid Microjets
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journal
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June 2013 |
Interfacial Water at Hydrophobic and Hydrophilic Surfaces: Slip, Viscosity, and Diffusion
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journal
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September 2009 |
Ion exclusion and electrokinetic effects resulting from electro-osmotic flow of salt solutions in charged silica nanopores
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journal
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January 2012 |
Molecular Simulations of Water and Ion Diffusion in Nanosized Mineral Fractures
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journal
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February 2009 |
Stern Layer Structure and Energetics at Mica–Water Interfaces
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journal
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April 2017 |
Electrokinetic energy conversion in nanofluidic channels: Addressing the loose ends in nanodevice efficiency: Nanoanalysis
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journal
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November 2014 |
Computer Simulation of Liquids
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book
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June 2017 |
Short channel effects on electrokinetic energy conversion in solid-state nanopores
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journal
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April 2017 |
Ewald summation for systems with slab geometry
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journal
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August 1999 |
Nonequilibrium molecular dynamics simulation for studying the effect of pressure difference and periodic boundary conditions on water transport through a CNT membrane
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journal
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February 2017 |
The shear viscosity of rigid water models
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journal
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March 2010 |
Transport phenomena in nanofluidics
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journal
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July 2008 |
Ion-Specific Effects under Confinement: The Role of Interfacial Water
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journal
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March 2010 |
Metal Ion Modeling Using Classical Mechanics
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journal
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January 2017 |
Water confinement in nanoporous silica materials
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journal
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January 2014 |
Molecular Dynamics Simulations of Water Structure and Diffusion in a 1 nm Diameter Silica Nanopore as a Function of Surface Charge and Alkali Metal Counterion Identity
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journal
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July 2018 |
Comment on ‘‘Mean force potential for the calcium–chloride ion pair in water’’ [J. Chem. Phys. 99, 4229 (1993)]
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journal
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February 1995 |
Aqueous NaCl and CsCl Solutions Confined in Crystalline Slit-Shaped Silica Nanopores of Varying Degree of Protonation
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journal
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December 2011 |
Aqueous electrolytes confined within functionalized silica nanopores
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journal
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September 2011 |
Molecular Dynamics Simulations to Examine Structure, Energetics, and Evaporation/Condensation Dynamics in Small Charged Clusters of Water or Methanol Containing a Single Monatomic Ion
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journal
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October 2012 |
Atomistic simulation of ion solvation in water explains surface preference of halides
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journal
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April 2011 |
Ion−Dipole Interactions Are Asymptotically Unscreened by Water in Dipolar Nanopores, Yielding Patterned Ion Distributions
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journal
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February 2008 |
Atomistic Description of Pressure-Driven Flow of Aqueous Salt Solutions through Charged Silica Nanopores
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journal
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May 2015 |
Electrokinetic transport in a water–chloride nanofilm in contact with a silica surface with discontinuous charged patches
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journal
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May 2012 |
Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm
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journal
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August 2003 |
Molecular dynamics simulations of cesium adsorption on illite nanoparticles
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journal
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March 2017 |
Electrokinetics: insights from simulation on the microscopic scale
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journal
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April 2013 |
Molecular simulation and continuum mechanics study of simple fluids in non-isothermal planar couette flows
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journal
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August 1997 |
Surface charge density on silica in alkali and alkaline earth chloride electrolyte solutions
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journal
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November 2005 |
Pressure-driven water flow through carbon nanotubes: Insights from molecular dynamics simulation
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journal
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February 2010 |
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
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journal
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January 2004 |
Faster Time Response by the Use of Wire Electrodes in Capacitive Salinity Gradient Energy Systems
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journal
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September 2012 |
Accurate Binding of Sodium and Calcium to a POPC Bilayer by Effective Inclusion of Electronic Polarization
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journal
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April 2018 |
Water−Silica Force Field for Simulating Nanodevices
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journal
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November 2006 |
Electrokinetic Power Generation from Liquid Water Microjets
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journal
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October 2008 |
Salt and Water Uptake in Nanoconfinement under Applied Electric Field: An Open Ensemble Monte Carlo Study
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journal
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August 2015 |
Models of permeation in ion channels
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journal
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November 2001 |
Interaction of NaOH solutions with silica surfaces
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journal
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April 2018 |
Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field
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journal
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January 2010 |
How Electrostatics Influences Hydrodynamic Boundary Conditions: Poiseuille and Electro-osmostic Flows in Clay Nanopores.
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journal
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January 2013 |
Thermostat choice significantly influences water flow rates in molecular dynamics studies of carbon nanotubes
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journal
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May 2014 |
The surface chemistry of amorphous silica. Zhuravlev model
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journal
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November 2000 |
Molecular and continuum hydrodynamics in graphene nanopores
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journal
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January 2013 |
Molecular Dynamics of Ionic Transport and Electrokinetic Effects in Realistic Silica Channels
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journal
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June 2008 |
A new and effective method for thermostatting confined fluids
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journal
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February 2014 |
A reactive molecular dynamics simulation of the silica-water interface
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journal
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May 2010 |
Fully explicit dissipative particle dynamics simulation of electroosmotic flow in nanochannels
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journal
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April 2016 |
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
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journal
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July 2008 |
Electrokinetic Energy Conversion Efficiency in Nanofluidic Channels
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journal
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October 2006 |
Molecular dynamics simulations of the interactions between TiO 2 nanoparticles and water with Na + and Cl − , methanol, and formic acid using a reactive force field
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journal
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November 2012 |
A polarizable model of water for molecular dynamics simulations of biomolecules
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journal
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January 2006 |
Hydrogen and Electric Power Generation from Liquid Microjets: Design Principles for Optimizing Conversion Efficiency
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journal
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June 2016 |
The missing term in effective pair potentials
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journal
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November 1987 |
Ion-specific adsorption and electroosmosis in charged amorphous porous silica
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journal
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January 2015 |
The influence of boundary conditions used in machine simulations on the structure of polar systems
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journal
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February 1980 |
Molecular electrometer and binding of cations to phospholipid bilayers
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journal
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January 2016 |
Salt Permeation and Exclusion in Hydroxylated and Functionalized Silica Pores
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journal
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March 2006 |
Computer Simulation of Liquids
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journal
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October 1988 |
Ion-dipole interactions are asymptotically unscreened by water in dipolar nanopores, yielding patterned ion distributions
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text
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January 2008 |