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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Theory and Simulation in Physics for Materials Applications: Cutting-Edge Techniques in Theoretical and Computational Materials Science

Theory and Simulation in Physics for Materials Applications: Cutting-Edge Techniques in Theoretical and Computational Materials Science

Levchenko, Elena V.
Dappe, Yannick J.
Ori, Guido

Paperback

Series: Springer Materials Science, Book 296

Technology & EngineeringChemistryPhysics

ISBN10: 303037792X
ISBN13: 9783030377922
Publisher: Springer Nature
Published: Feb 15 2021
Pages: 286
Weight: 0.95
Height: 0.64 Width: 6.14 Depth: 9.21
Language: English

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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