QUANTUM CHEMISTRY NETWORK · HUST
Understand the quantum.
Build the intuition.
A bilingual learning space for chemistry, materials, and scientific computing. Follow the derivations. See the models. Connect equations to real simulations.
CHOOSE A PATHWAY
Foundations first. Connections everywhere.
Quantum mechanics
States, operators, and the variational principle
Explore the pathway →02 / 4 LESSONSMolecular methods
From molecular orbitals to electron correlation
Explore the pathway →03 / 3 LESSONSDensity functional theory
Density, Kohn–Sham equations, and approximation
Explore the pathway →04 / 3 LESSONSTight binding
Localized orbitals, Bloch waves, and band models
Explore the pathway →05 / 3 LESSONSMolecular dynamics
Forces, integrators, and statistical observables
Explore the pathway →06 / 3 LESSONSMonte Carlo
Probability, detailed balance, and useful sampling
Explore the pathway →07 / 3 LESSONSQuantum Monte Carlo
Variational sampling, projection, and the sign problem
Explore the pathway →A route through the ideas
Quantum mechanics → molecular orbitals and Hartree–Fock → density functional theory → tight binding. Then connect molecular dynamics and Monte Carlo to statistical sampling and quantum Monte Carlo. Every lesson states its prerequisites and limits.