We present the results of molecular dynamics simulations of SPC/E water confined in a realistic model of a silica pore. The single-particle dynamics have been studied at ambient temperature for different hydration levels. The confinement near the hydrophilic sm face makes the dynamic behaviour of the liquid strongly dependent on the hydration level. Upon decrease of the number of water molecules in the pore we observe the onset of a slow dynamics due to the "cage effect". The conventional picture of a stochastic single-particle diffusion process thus loses its validity
The Van Hove self-correlation function of water confined in a silica pore is calculated from molecul...
In biological cells, water is confined by macromolecules. Additionally, huge amounts of water are co...
Molecular dynamics results on water con fined in a silica pore in the lowhydration regime are presen...
We present the results of molecular dynamics simulations of SPC/E water confined in a realistic mode...
A molecular dynamics simulation of SPC/E water confined in a realistic silica pore is presented. The...
A molecular dynamics simulation of SPC/E water confined in a realistic silica pore is presented. The...
Molecular dynamics simulations of SPC/E water confined in a silica pore are presented. The simulatio...
The mobility of water molecules confined in a silica pore is studied by computer simulation in the l...
A molecular dynamics simulation of SPC/E water confined in a Silica pore is presented. The pore has ...
We present the results of molecular dynamics simulations on water confined in a silica pore of 15 °...
Molecular-dynamics results on water confined in a silica pore are reviewed and discussed in connecti...
Molecular dynamics results on water confined in a silica pore in the low hydration regime are presen...
A molecular dynamics simulation in a time interval of 1 fs to 50 ns has been performed to study the ...
A molecular dynamics simulation in a time interval of 1 fs to 50 ns has been performed to study the ...
International audienceLarge-scale molecular dynamics simulations are used to investigate the structu...
The Van Hove self-correlation function of water confined in a silica pore is calculated from molecul...
In biological cells, water is confined by macromolecules. Additionally, huge amounts of water are co...
Molecular dynamics results on water con fined in a silica pore in the lowhydration regime are presen...
We present the results of molecular dynamics simulations of SPC/E water confined in a realistic mode...
A molecular dynamics simulation of SPC/E water confined in a realistic silica pore is presented. The...
A molecular dynamics simulation of SPC/E water confined in a realistic silica pore is presented. The...
Molecular dynamics simulations of SPC/E water confined in a silica pore are presented. The simulatio...
The mobility of water molecules confined in a silica pore is studied by computer simulation in the l...
A molecular dynamics simulation of SPC/E water confined in a Silica pore is presented. The pore has ...
We present the results of molecular dynamics simulations on water confined in a silica pore of 15 °...
Molecular-dynamics results on water confined in a silica pore are reviewed and discussed in connecti...
Molecular dynamics results on water confined in a silica pore in the low hydration regime are presen...
A molecular dynamics simulation in a time interval of 1 fs to 50 ns has been performed to study the ...
A molecular dynamics simulation in a time interval of 1 fs to 50 ns has been performed to study the ...
International audienceLarge-scale molecular dynamics simulations are used to investigate the structu...
The Van Hove self-correlation function of water confined in a silica pore is calculated from molecul...
In biological cells, water is confined by macromolecules. Additionally, huge amounts of water are co...
Molecular dynamics results on water con fined in a silica pore in the lowhydration regime are presen...