NANO 266Quantum Mechanical Modeling of Materials and Nanostructures

4 units · NANO · UC San Diego

Application of quantum mechanical modeling methods (both solid state and computational chemistry) in the study of materials and nanostructures; density functional theory (DFT) and approximations; Hartree-Fock and beyond HF approximations; hybrid density functional theory; beyond DFT (GW, TDDFT); ab initio molecular dynamics; materials properties (mechanical, electrochemical, electronic, transport, nano-scale effects on properties) from quantum mechanical simulations; high-throughput computation.