Predict equations of state using neural networks
Input U(r)
Calculate for range of densities
Input temperature
Input density / Density start
Density end
Density step
Output virial coefficients
B_2
B_3
B_4
B_5
Output pressure [format: (ρ,
P
)]
Pressure-Plot
Choose a model:
Model v.1.0
Model v.1.1
Calculate pressure range
Load Example
Usage
This tool calculates pressures
P
from the used pair potential
U
(
r
) using neural networks (see
https://gitlab.rlp.net/anikouba/boltzmann
and
https://arxiv.org/abs/1908.02448
for details).
Input:
g
(
r
) values (50 values, sampled between
r
=0 and 20σ) and number density in units of 1/σ^3 as well as temperature in ε
Output: Virial coefficients and pressure in ε/σ^3
Tools developed by
Fabian Berressem
and
Arash Nikoubashman