

Wave
Packet Dynamical Simulation Package (WPD)

 Calculation of dynamical processes
 Tunneling probability and current
 Eigenstates, wave functions
 Density distributions
 Calculations for realistic models even on
a PC
 Well paralellizable algorithm for
multicore computers
 http://www.mfa.kfki.hu/~mark/phd/index.html


WebSchrödinger
Interactive Schrödinger Equation Solver

VASP DFT (Vienna Abinitio Simulation
Package)

 Calculation of electronic structure
 Geometry optimization
 LDA, GGAs, metaGGAs
 HartreeFock, HartreeFock/DFT hybrids
 Calculations for realistic models even on
a PC
 Well paralellizable algorithm for
multicore computers
 https://www.vasp.at



