STEM / applied
Computational chemistry · Graduate · Chemistry
Topics
Software development and workflows
- Python ecosystems: RDKit, ASE, cclib, OpenMM, Psi4
- Workflow managers: Snakemake, FireWorks, Apache Airflow
- Containerization: Docker and Singularity for reproducibility
- Version control and collaborative code development
- Automated benchmarking and regression testing
- Visualization: VMD, PyMOL, NGLview, custom dashboards
- Cluster job scheduling: SLURM, PBS, cloud instances
- Documentation and teaching computational methods
- Open-source contribution and community standards
- Ethics of AI-generated molecular designs
Applied computational chemistry
- Pharmaceutical computational chemistry teams
- Materials informatics in industry R&D
- Contract computational chemistry services
- National supercomputing facility proposals (XSEDE, INCITE)
- Intellectual property for in silico discoveries
- Regulatory acceptance of computational predictions
- Consulting for litigation and patent disputes
- Startup ventures in AI-driven drug discovery
- Academic core facility management
- Career paths in computational chemistry across sectors
What each unit includes
Open a unit below for full materials. Typical resources:
- Study guide
- Exam Strategy
- Common Mistakes
- Worksheets
- Word problems
- Mixed Practice
- Multi-Unit Problems
- Review
- Practice test
- Answer key
Study units
Each unit includes a study guide, worksheets, review, practice test, and answer key. One unit is free; subscribe for the full class.
- Advanced quantum chemistry
Coupled cluster theory: CCSD, CCSD(T), and convergence
Coming soon - Molecular dynamics and Monte Carlo
Force field development and parameterization
Coming soon - Cheminformatics and machine learning
Molecular descriptors and fingerprints
Coming soon - Specialized applications
Catalyst design with computational screening
Coming soon - Software development and workflows
Python ecosystems: RDKit, ASE, cclib, OpenMM, Psi4
Coming soon - Applied computational chemistry
Pharmaceutical computational chemistry teams
Coming soon
Pricing calculator
Choose materials, tutoring, or both — or book a single session as needed. Customize your plan on the subscribe page.
$1,162 · Computational chemistry · 18 tutoring hrs
Study guides, worksheets, reviews, practice tests, and answer keys for 1 class. 18 tutoring hours (1 hr / week · semester). Bundle discount applied vs buying separately. Pay in full via Zelle.