Atomistic Modeling and Simulation of Materials and Structures

3-0-9 units · Graduate

Covers multiscale atomistic modeling and simulation methods, with focus on mechanical properties (elasticity, plasticity, creep, fracture, fatigue) of a range of materials (metals, ceramics, proteins, biological materials, biomaterials). Topics include mechanics of materials (energy principles, nano-/micromechanics, deformation mechanisms, size effects, hierarchical biological structures) and atomistic modeling (chemistry, interatomic potentials, chemical reactivity and first-principles methods, visualization, data analysis, numerical methods, supercomputing, data-driven algorithms). Includes interactive computational projects and cloud-based computing. Part I – Basic atomistic and multiscale methods, Part II – Interatomic potentials, Part III – Mechanical properties at multiple scales, Part IV – Materiomics.