Summary Of Simulation Steps

In summary to perform a py4mulas transport simulation we go through the following steps:

Serial

1. Define a periodic hamiltonian

2. Construct a Py4mulas model

3. Chose a formula among Kubo, SecondOrderKubo or Build Your Own Formula

4. Chose the appropriate kernel among KuboKernel, KuboBestinKernel (see. Available kernels)

5. Define operators from operators

6. Harness results by calling formula with transport parameters (mu, temperature, eta)

Parallelized

(1)-(5) Similarly

6. Chose an Executor

7. Chose a computer depending on what you compute with respect to. Computers are:

• MuTEtaComputer: if variables among mu, T, eta are to be varied

• HamParamComputer: if Hamiltonian parameters are to be varied

8. Harness results by calling formula with transport parameters (mu, temperature, eta)