Trends in Computational Nanomechanics : Transcending Length and Time Scales - Dumitrica, Traian; SpringerLink (Online service) (Dordrecht : Springer Netherlands : Imprint: Springer, 2010)
Hybrid Quantum/Classical Modeling of Material Systems: The "Learn on the Fly" Molecular Dynamics Scheme -- Multiscale Molecular Dynamics and the Reverse Mapping Problem -- Transition Path Sampling Studies of Solid-Solid Transformations in Nanocrystals under Pressure -- Nonequilibrium Molecular Dynamics and Multiscale Modeling of Heat Conduction in Solids -- A Multiscale Methodology to Approach Nanoscale Thermal Transport -- Multiscale Modeling of Contact-Induced Plasticity in Nanocrystalline Metals -- Silicon Nanowires: From Empirical to First Principles Modeling -- Multiscale Modeling of Surface Effects on the Mechanical Behavior and Properties of Nanowires -- Predicting the Atomic Configuration of 1- and 2-Dimensional Nanostructures via Global Optimization Methods -- Atomic-Scale Simulations of the Mechanical Behavior of Carbon Nanotube Systems -- Stick-Spiral Model for Studying Mechanical Properties of Carbon Nanotubes -- Potentials for van der Waals Interaction in Nano-Scale Computation -- Electrical Conduction in Carbon Nanotubes under Mechanical Deformations -- Multiscale Modeling of Carbon Nanotubes -- Quasicontinuum Simulations of Deformations of Carbon Nanotubes -- Electronic Properties and Reactivities of Perfect, Defected, and Doped Single-Walled Carbon Nanotubes -- Multiscale Modeling of Biological Protein Materials - Deformation and Failure -- Computational Molecular Biomechanics: A Hierarchical Multiscale Framework With Applications to Gating of Mechanosensitive Channels of Large Conductance -- Out of Many, One: Modeling Schemes for Biopolymer and Biofibril Networks.
Keywords: Nanotechnology; Chemistry, Physical and theoretical; Condensed matter; Physics; Computer mathematics; Nanotechnology and Microengineering; Theoretical and Computational Chemistry; Condensed Matter Physics; Nanotechnology; Numerical and Computational Physics, Simulation; Computational Science and Engineering