Theoretical / proof-based
Statistical mechanics (chemistry) · Graduate · Chemistry
Topics
Ensembles and partition functions
- Microcanonical ensemble and Boltzmann entropy
- Canonical ensemble: partition function and Helmholtz free energy
- Grand canonical ensemble and chemical potential
- Isothermal–isobaric ensemble and Gibbs free energy
- Classical partition functions: translational, rotational, vibrational
- Quantum partition functions and low-temperature limits
- Equipartition theorem and its failures
- Ideal gas equation of state from statistical mechanics
- Chemical equilibrium from partition functions
- Standard thermodynamic quantities from molecular data
Interacting systems
- Virial expansion and equations of state
- Radial distribution function g(r) and structure factor
- Monte Carlo simulation: Metropolis algorithm and detailed balance
- Molecular dynamics: Verlet integrators and thermostats
- Ewald summation for electrostatic interactions
- Force fields for molecular simulation: AMBER, CHARMM, OPLS
- Free energy perturbation and thermodynamic integration
- Umbrella sampling and WHAM analysis
- Replica exchange molecular dynamics
- Phase transitions and critical exponents (introduction)
Non-equilibrium and transport
- Boltzmann transport equation
- Chapman–Enskog theory for transport coefficients
- Diffusion, viscosity, and thermal conductivity
- Fokker–Planck and Langevin equations
- Linear response theory and Onsager reciprocal relations
- Chemical reaction rates from transition state theory
- Master equation and stochastic chemical kinetics
- Fluctuation theorems and Jarzynski equality (intro)
- Non-equilibrium steady states
- Brownian motion and Einstein relation
Advanced chemical applications
- Ising model for adsorption and phase transitions
- Lattice models for polymer conformations
- Configurational integral for flexible molecules
- Electrolyte solutions: Debye–Hückel and Poisson–Boltzmann
- Semiclassical methods for molecular collisions
- Path integral molecular dynamics (overview)
- Coarse-grained models and multiscale simulation
- Statistical mechanics of surfaces and interfaces
- Reaction–diffusion systems and pattern formation
- Connecting simulation to experimental observables
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Study units
Each unit includes a study guide, worksheets, review, practice test, and answer key. One unit is free; subscribe for the full class.
- Ensembles and partition functions
Microcanonical ensemble and Boltzmann entropy
Coming soon - Interacting systems
Virial expansion and equations of state
Coming soon - Non-equilibrium and transport
Boltzmann transport equation
Coming soon - Advanced chemical applications
Ising model for adsorption and phase transitions
Coming soon
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$1,162 · Statistical mechanics (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.