Index of Keywords

molecular dynamics

3D Molecular Theory of Solvation Coupled with MD for Nanomedical Sciences

Tearing Graphene

Brittle Ductile Transition in Carbon Nanotube Bundles

Simulating the Fast Transport of Water Through Carbon Nanotubes

Prediction of Thermal Conductivity of Liquid Methane/Ethane-Cu Nanofluids via Molecular Dynamics Simulations

Tailoring Molecular Devices for its Electronic Properties

Change of the Electronic Conductivity of CNTs and Graphene Sheets Caused by a Three-dimensional Strain Field

Molecular Dynamics Simulation of Sensor-Enabled Geosynthetics

Dynamic Crack Propagation in a Bi-Metallic Nanolayer

Structural conformations of ATP/Mg:ATP and Mg2+ coordinating dynamics in motor proteins

Effective Viscosity of the nanofluids: Experimental studying and molecular dynamics simulation

Computational Hierarchy Modeling of Self-assembled Polyurea Aerogels

Competitive Binding of Natural Amphiphiles to Graphene derivatives

A Molecular Modeling Approach towards Engineering of Polymer Nanogels for Controlled Drug Delivery

Molecular Dynamics Simulation of Adsorption from Microemulsions and Surfactant Micellar Solutions at Solid-Liquid, Liquid-Liquid and Gas-Liquid interfaces

molecular dynamics (MD)

Microscopic Characterization of Nanocomposite based on the Mixture of Carbon Nanotube and Rosette Nanotube

molecular dynamics (MD) simulation

Thermodynamic Behaviors of Nano-Sized Au Clusters on the (001) Surface

molecular dynamics method

Computer Simulation Study of Mechanical Properties of Nanoscale Materials by Molecular Dynamics and Lattice Green's Function Methods

molecular dynamics simulation

Mesoscopic Breathing Sphere Model for Computer Simulation of Laser Ablation and Damage

Transient Analysis of Electroosmotic Flow in Nano-diameter Channels