Molecular Modeling and Multiscaling Issues for Electronic Material Applications

Part I Quantum Mechanics and Molecular Methods: Uses for Property Understanding.- Atomistic Simulations of Microelectronic Materials: Prediction of Mechanical, Thermal and Electrical Properties.- Using Molecular Modeling Trending to Understand Dielectric Susceptibility.- Understanding Cleaner Efficiency for BARC ("Bottom Anti-Reflective Coating") After Plasma Etch in Dual Damascene Structures Through the Practical Use of Molecular Modeling Trends.- Part II. Large scale atomistic methods and scaling methods to understand mechanical failure in metals.- Roles of grain boundaries in the strength of metals by using atomic simulations.- Semi Emprical Low Cycle Fatigue Crack Growth Analysis of Nanostructure Chip-To-Package Copper Interconnect Using Molecular Simulation.- Part III. Molecular scale modeling uses for Carbon Nanotube behavior.- Thermal conductivity of carbon nanotube under external mechanical stresses and moisture by molecular dynamics simulation.- Influence of Structural Parameters of Carbon Nanotubes on Their Thermal Conductivity -- Numerical Assessment.- Part IV.Molecular methods to understand mechanical and physical properties.- The mechanical properties modeling of nano-scale materials by molecular dynamics.- Molecular design of SAM (Self-Assembled Monolayer) coupling agent for reliable interfaces by Molecular Dynamics Simulation.- Microelectronics Packaging Materials:Correlating Structure and Property using Molecular Dynamics Simulations.- PartV. Multiscale methods and perspectives.- Investigation of interfacial delamination in electronic packages.- Multiscale approach optimization on surface wettabilty change.- Glass Transition Analysis of Crosslinked Polymers --Numerical and Mesoscale Approach.- Mechanical Properties of an Epoxy, Modeled Using Particle Dynamics as Parameterized through Molecular Modeling.