PC₃ Curriculum
What you'll Learn
Introductory Module
Full-Semester Module, 3 Credits
PC₃ Introductory Module covers molecular mechanics, statistical mechanics, wavefunction theory, and density functional theory (DFT). Computational students will see a structured progression from core theory to practical tools, with hands-on work using GROMACS, ORCA, Gaussian, and DFTB+. Experimental students will benefit from learning how computational models can explain bonding, reactivity, and spectroscopy in support of lab-based findings. Instructors can use the outline to show how this module builds essential skills for any student entering modern molecular research.
Advanced Module I (AM I)
Half-Semester Module, 1.5 Credits
Advanced Module I focuses on DFT methods, solid-state modeling, and relativistic effects. Computational students will find in-depth instruction on periodic boundary conditions, band structure, and plane-wave methods, with practical experience using Quantum ESPRESSO. Experimental students, especially in materials or inorganic chemistry, can explore how theory supports understanding of solids, surfaces, and heavy-element systems. Instructors can point to this module as an ideal next step for students aiming to model extended systems or interpret complex structural data.
Advanced Module II (AM II)
Half-Semester Module, 1.5 Credits
Advanced Module II focuses on DFT methods, solid-state modeling, and relativistic effects. Computational students will find in-depth instruction on periodic boundary conditions, band structure, and plane-wave methods, with practical experience using Quantum ESPRESSO. Experimental students, especially in materials or inorganic chemistry, can explore how theory supports understanding of solids, surfaces, and heavy-element systems. Instructors can point to this module as an ideal next step for students aiming to model extended systems or interpret complex structural data.