GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
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Updated
May 18, 2024 - C++
GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
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
Fluid dynamics for chemical applications
An Active learning algorithm for multi-component adsorption prediction in MOF
Fit temperature-dependent isotherms to equilibrium data.
Automatically applies betsi criteria to a group of isotherms, and doesn't give up!
HTA磁吸多窗口模板
for adsorption related research
A collection of Python code used for carbon dioxide adsorption analysis
Model hydrogen adsorption on the surface of nanostructures based on the “Random rain” algorithm
Collect adsorption isotherm data from the NIST/ARPA-E Database
The folder contains implemented approaches of curves fitting of Non-Specific binding of Blood Plasma proteins to the sensor surface
R package for processing isotherm experiment data & predicting sorption processes using empirical models.
Streamline the process of adsorption modeling for researchers, by automating the fitting of theoretical adsorption models to empirical isotherm data
Software to plot a graphic the profile of dimensionless bulk concentration within time. The application compares the accuracy and deviation between QPVSD and PVSD models.
TPD and prefactor BE functions and library
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).
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