Similar to 分子シミュレーション

Particle-in-cell

Quantum ESPRESSO

Vienna Ab initio Simulation Package

Ewald summation

Car–Parrinello method

Interatomic potential

Eigenmode expansion

Time-dependent density functional theory

Periodic boundary conditions

Slater determinant

Perturbation theory

First principle

Method of fundamental solutions

N-body problem

Computational electromagnetics

Hartree equation

Hartree–Fock method

Hamiltonian Monte Carlo