GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
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Updated
Aug 13, 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.
Input script for Monte Carlo (GCMC) simulations
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
R package for processing isotherm experiment data & predicting sorption processes using empirical models.
The folder contains implemented approaches of curves fitting of Non-Specific binding of Blood Plasma proteins to the sensor surface
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.
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
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