Welcome to Computational Problem Solving in the Chemical Sciences

• Lecture 1: Introduction to Python for the Chemical Sciences
• Lecture 2: Essential Python Packages for the Chemical Sciences
• Lecture 3: Control Structures in Python
• Lecture 4: Chemical Reaction Equilibria and Roots of Equations
• Lecture 5: Chemical Bonding and Numerical Integration
• Lecture 6: Balancing Chemical Equations and Systems of Linear Algebraic Equations
• Lecture 7: Orders of Reaction and Linear Regression Analysis
• Lecture 8: Calibration Data, Confidence Intervals, and Correlation Analysis
• Lecture 9: Classical Thermodynamics
• Lecture 10: Statistical Thermodynamics
• Lecture 11: Ensembles and Ergodicity
• Lecture 12: The Monte Carlo Method
• Lecture 13: Monte Carlo Integration
• Lecture 14: A Basic Monte Carlo Algorithm
• Lecture 15: Nanoparticle Shape and Simulated Annealing
• Lecture 16: Technical Details: Boundary Conditions, Truncation of Interactions, Etc.
• Lecture 17: Lipid Interactions in Membranes and Monte Carlo Simulations
• Lecture 18: Monte Carlo Simulations of Adsorption on Surfaces
• Lecture 19: Grand Canonical Monte Carlo Simulations of Competitive Adsorption
• Lecture 20: Molecular Dynamics
• Lecture 21: Verlet Integration
• Lecture 22: Thermostatting
• Lecture 23: Atomic Simulation Environment (ASE)
• Lecture 24: Radial Distribution Function
• Lecture 25: Molecular Dynamics Simulations of a Polymer Chain
• Lecture 26: Newton-Raphson Method
• Lecture 27: Kinetic Monte Carlo