{ "item_title" : "Theory and Simulation in Physics for Materials Applications", "item_author" : [" Elena V. Levchenko", "Yannick J. Dappe", "Guido Ori "], "item_description" : "Development of Advanced Simulation Methods: The Predictive Power.- Making Computer Materials Real: The Predictive Power of First-Principles Molecular Dynamics.- Assessing The Versatility of Molecular Modelling as a Strategy for Predicting Gas Adsorption Properties of Chalcogels.- Modelling Electrochemical Processes and Defects in Semiconductor Materials Through Constant Fermi Level Ab Initio Molecular Dynamics.- Controlling the Complexity of First Principles Simulations of Materials via Large Scale Wavelet-Based Density Functional Theory.- Elastic Properties of Materials.- Amorphous Sn-Ti Oxides: New Insights from Self-Consistent Hybrid Functional Calculations.- Recent Advances in Molecular Dynamics and Monte Carlo Simulations of Transport Properties of Materials.- Diffusion Kinetics and Binary Liquid Alloys with Demixing Tendency: Case Study on Cu-Ag Melts.- Kinetic and Thermodynamic Contributions into Interdiffusion in Ni-Zr Melts Assessed by Atomistic Simulations.- Advanced Monte Carlo Simulations for Ion Channeling Analysis of Defects In Crystals.- Recent Progress in Electronic Transport and Device Simulation, Optical Properties.- Electronic and Optical Properties of Polypyrrole as Toxic Gas Sensor.- Bandstructure Engineering in Half-Heuslers to Improve their Thermoelectric Power Factor.- Modelling the Coulomb Blockade Effect in the Metal-Insulator-Semiconductor Tunnel Diode.- Surfaces, Interfaces in Low-Dimensional Systems.- Investigation of Electronic Properties in Graphene - Hexagonal Boron Nitride Nanoflakes by Machine Learning Techniques.- Hydrogen in Silicon: Evidence of Multiple Independent States.- Rational Design of Biointerfaces: A Computational Approach.", "item_img_path" : "https://covers3.booksamillion.com/covers/bam/3/03/037/792/303037792X_b.jpg", "price_data" : { "retail_price" : "169.99", "online_price" : "169.99", "our_price" : "169.99", "club_price" : "169.99", "savings_pct" : "0", "savings_amt" : "0.00", "club_savings_pct" : "0", "club_savings_amt" : "0.00", "discount_pct" : "10", "store_price" : "" } }

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