We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of the Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from the surface polarization can be decoupled from the energy due to the direct Coulomb interaction between the ions. This allows us to combine an efficient Ewald summation method, or any other fast method for summing over the replicas, with the polarization contribution calculated using Green function techniques.We apply the method to calculate density profiles of ions confined between the charged dielectric and metal surfaces
We present a comparison of methods for treating the electrostatic interactions of finite, isolated s...
We present rapidly convergent expressions for the Green's function of the Poisson equation for spher...
The constant potential molecular dynamics simulation method proposed by Siepmann and Sprik and refor...
We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfa...
We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfa...
We present an efficient method for simulating Coulomb systems confined by metal electrodes. The appr...
We present a new approach to efficiently simulate electrolytes confined between infinite charged wal...
We present a new method for simulating ungrounded charged metal slabs inside an electrolyte solution...
We present a method to efficiently simulate nano-patterned charged surfaces inside an electrolyte so...
In this Thesis, we study quasi bi-dimensional charged systems confined by infinite electrified walls...
We present a simulation method to study electrolyte solutions in a dielectric slab geometry using a ...
We present a useful methodology to simulate ionic fluids confined by two charged and perfectly condu...
International audienceElectrochemistry is central to many applications, ranging from biology to ener...
We present a comparison of methods for treating the electrostatic interactions of finite, isolated s...
We present rapidly convergent expressions for the Green's function of the Poisson equation for spher...
The constant potential molecular dynamics simulation method proposed by Siepmann and Sprik and refor...
We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfa...
We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfa...
We present an efficient method for simulating Coulomb systems confined by metal electrodes. The appr...
We present a new approach to efficiently simulate electrolytes confined between infinite charged wal...
We present a new method for simulating ungrounded charged metal slabs inside an electrolyte solution...
We present a method to efficiently simulate nano-patterned charged surfaces inside an electrolyte so...
In this Thesis, we study quasi bi-dimensional charged systems confined by infinite electrified walls...
We present a simulation method to study electrolyte solutions in a dielectric slab geometry using a ...
We present a useful methodology to simulate ionic fluids confined by two charged and perfectly condu...
International audienceElectrochemistry is central to many applications, ranging from biology to ener...
We present a comparison of methods for treating the electrostatic interactions of finite, isolated s...
We present rapidly convergent expressions for the Green's function of the Poisson equation for spher...
The constant potential molecular dynamics simulation method proposed by Siepmann and Sprik and refor...