Similar to 経験的分子軌道法

N-body simulation

Particle-in-cell

Ewald summation

Finite-difference time-domain method

Car–Parrinello method

Bond order potential

Interatomic potential

Kohn–Sham equations

Eigenmode expansion

Jellium

Time-dependent density functional theory

Periodic boundary conditions

Slater determinant

Perturbation theory

First principle

Method of fundamental solutions

N-body problem

Direct simulation Monte Carlo

Computational electromagnetics