HUNTERTUTORING

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

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.

  • 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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What do you need?

$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.