A framework for processing adsorption data and isotherm fitting

A machine learning model based on gradient boosting decision tree for predicting heavy metal adsorption in soil.

BET surface area analysis from adsorption data

An Active learning algorithm for multi-component adsorption prediction in MOF

Collect adsorption isotherm data from the NIST/ARPA-E Database

Fit temperature-dependent isotherms to equilibrium data.

Automatically applies betsi criteria to a group of isotherms, and doesn't give up!

A collection of Python code used for carbon dioxide adsorption analysis

Streamline the process of adsorption modeling for researchers, by automating the fitting of theoretical adsorption models to empirical isotherm data

Tools for generating parameters for helium on uniaxially strained graphene simulations using quantum Monte Carlo software hosted at https://code.delmaestro.org and plots of the helium graphene interaction.

Sequential design of adsorption simulation for small molecule adsorption in a MOF

The present algorithm generates sets of atomic structures of adsorbed molecules, considering ridge structures and atoms as spheres of VDW radius (or a fraction of it).

Repository containing data extracted from AJ Brown's seminal thesis on adsorption-desorption hysteresis, with particular emphasis on scanning isotherms inside the boundary isotherm curves for Xenon adsorption in Vycor Glass.

Series of simulations analyzing common chemical engineering, thermodynamic, and kinetic phenomena