Theory and Simulation in Physics for Materials Applications
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Theory and Simulation in Physics for Materials Applications
Cutting-Edge Techniques in Theoretical and Computational Materials Science
Dappe, Yannick J.; Levchenko, Elena V.; Ori, Guido
Springer Nature Switzerland AG
04/2020
286
Dura
Inglês
9783030377892
Pré-lançamento - envio 15 a 20 dias após a sua edição
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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.
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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.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
