Curriculum Design & Instruction
Prepared in-class teaching material for the course including, but not limited to, Born-Oppenheimer Approximation,
Hartree Self-Consistent-Field (SCF) method, Hartree-Fock
Created structured lessons that are primarily focused on applications that helped students translate theoretical concepts
into computational practice within the field of quantum chemistry
In-class Instruction
Guided students through practical quantum chemistry calculations using Gaussian09, focusing on:
Molecular geometry and energy optimization
Vibrational frequency analysis
Construction of potential energy surfaces (PES)
Transition state identification and reaction path mapping via intrinsic reaction coordinates (IRC)
Developing Software Skills of Students
Taught students to analyze and interpret Gaussian09 output data using Avogadro,
an open-source molecular modeling and visualization tool
Demonstrated molecule building, structure manipulation, and visualization techniques essential for understanding
chemical phenomena at the molecular level
Taught Python to extract gemoetry and potential value to build and plot potential energy surface
Explained shell script for managing
Instructional Resource Development
Produced and distributed a suite of instructional video tutorials to support pre-class preparation and
independent learning
Topics included accessing and using high-performance computing (HPC) access, navigating though the cluster using
unix command line, cross-platform software installation (macOS, Linux, Windows), and molecular modeling workflows