Molecular Modeling of pH-Dependent Properties of Emeraldine Base Polyaniline for pH-Based Chemical Sensors -- Two Approaches of Study Cu/Epoxy Interface Enhancement with Benzenethiol Promoter -- Molecular Dynamics Simulation of Pore Formation Mechanism for Deposition of Poly (vinylidene fluoride-co-trifluoroethylene) on Gold Substrate -- Investigating the Influence of Moisture by Molecular Dynamics Simulations -- Analysis of the Adhesion Work with a Molecular Modeling Method and a Wetting Angle Measurement -- Using Coarse-Grained Molecular Models (Molecular-Mesocale) of a Copper Oxide-Epoxy Interface to Obtain Stress-Strain Failure Predictions which Include Interfacial Roughness, Water and Filler Effects -- Establishment of the Mesoscale Parameters for Separation: A Non-Equilibrium Molecular Dynamics Model -- Mechanics of Graphene and Carbon Nanotubes under Uniaxial Compression and Tension -- Analysis of an Influence of a Conversion Level on Simulation Results of the Crosslinked Polymers.