onfinement leads to dramatic changes in the structure and dy-namics of water.1 At the structural level, confinement may lead to new types of molecular order that are not present in the bulk. Confinement of water molecules in a space of a few molecular diameters in ex-tent, such as narrow carbon nanotubes, leads to solidlike ordering2–5 even at room temperature. Water near surfaces also tends to order in layers, as has been probed by X-ray diffraction.6 Several experimental and simulation studies have demonstrated that the dynamic behavior of confined water molecules is markedly different from tha
We have performed atomistic molecular dynamics (MD) simulations of water molecules inside narrow, op...
We explore by molecular dynamic simulations the thermodynamical behavior of an anomalous fluid confi...
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotu...
It is well-known that the short-range correlation among water molecules can extend up to no more tha...
Understanding the properties of strongly confined water is important for a variety of applications s...
Molecular dynamics simulations of the orientational dynamics of water molecules confined in narrow c...
Molecular dynamics simulations of the orientational dynamics of water molecules confined in narrow c...
We used molecular dynamics (MD) simulations to study the reorientational dynamics of water molecules...
We used molecular dynamics (MD) simulations to study the reorientational dynamics of water molecules...
Various structural, dynamic and thermodynamic properties of water molecules confined in single-wall ...
Water, because of its anomalous properties, can exhibit complex behavior under strong confinement. A...
We report the results of extensive molecular dynamics (MD) simulation of water in a carbon nanotube ...
This thesis deals with several aspects of translational and reorientational dynamics of water molecu...
Water confined within nanoscale geometries under external field has many interesting properties whic...
We study the structure and orientation of water molecules at model hydrophobic surfaces by means of ...
We have performed atomistic molecular dynamics (MD) simulations of water molecules inside narrow, op...
We explore by molecular dynamic simulations the thermodynamical behavior of an anomalous fluid confi...
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotu...
It is well-known that the short-range correlation among water molecules can extend up to no more tha...
Understanding the properties of strongly confined water is important for a variety of applications s...
Molecular dynamics simulations of the orientational dynamics of water molecules confined in narrow c...
Molecular dynamics simulations of the orientational dynamics of water molecules confined in narrow c...
We used molecular dynamics (MD) simulations to study the reorientational dynamics of water molecules...
We used molecular dynamics (MD) simulations to study the reorientational dynamics of water molecules...
Various structural, dynamic and thermodynamic properties of water molecules confined in single-wall ...
Water, because of its anomalous properties, can exhibit complex behavior under strong confinement. A...
We report the results of extensive molecular dynamics (MD) simulation of water in a carbon nanotube ...
This thesis deals with several aspects of translational and reorientational dynamics of water molecu...
Water confined within nanoscale geometries under external field has many interesting properties whic...
We study the structure and orientation of water molecules at model hydrophobic surfaces by means of ...
We have performed atomistic molecular dynamics (MD) simulations of water molecules inside narrow, op...
We explore by molecular dynamic simulations the thermodynamical behavior of an anomalous fluid confi...
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotu...