Basics of Density Functional Theory, Molecular Dynamics, and Monte Carlo Simulation Techniques in Materials Science
Sandeep Kumar Singh, Ankur Chaurasia, Akarsh Verma
Topics & Concepts
Microscale chemistryNanoscopic scaleMolecular dynamicsNanotechnologyScience and engineeringComputational simulationComputer scienceMonte Carlo methodMultiscale modelingMesoscale meteorologyComputational scienceStatistical physicsSystems engineeringMaterials scienceEngineeringPhysicsEngineering ethicsChemistryMathematicsComputational chemistryMeteorologyStatisticsMathematics educationBoron and Carbon Nanomaterials ResearchMicrostructure and mechanical propertiesCarbon Nanotubes in Composites