VlachosGroup / renview
The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifying dominant reaction pathways and mechanism reduction.
☆22Updated 8 months ago
Alternatives and similar repositories for renview:
Users that are interested in renview are comparing it to the libraries listed below
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆21Updated last month
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆16Updated 6 months ago
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆16Updated 2 months ago
- The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms☆78Updated this week
- Resources for teaching quantum chemistry courses in Bonn☆37Updated this week
- Teaching Utility for Classical Atomistic Simulation.☆30Updated 8 months ago
- ☆42Updated 5 months ago
- Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application☆32Updated last year
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆17Updated 3 months ago
- ARC - Automatic Rate Calculator☆45Updated this week
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 3 years ago
- Supplementary code for the Manuscript: "Thermodynamically-consistent machine-learning based Equation of State for the Mie fluid".☆9Updated last year
- Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.☆31Updated 2 months ago
- Ideal Adsorbed Solution Theory☆52Updated 3 years ago
- Calculates the vapor-liquid equilibria (pressure versus temperature) phase envelope using Michelsen's continuation method.☆11Updated 2 years ago
- Chemical Equilibrium Diagrams for aqueous systems☆23Updated last year
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆45Updated 4 months ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated last year
- ☆10Updated last year
- A Python package for multipole expansions of electrostatic or gravitational potentials☆43Updated 3 months ago
- Up-scale python functions for high performance computing (HPC)☆29Updated last week
- Electrochemical reaction rate modeling and nonequilibrium phase maps (via AD)☆22Updated last year
- A generic implementation of tensor einsum in Fortran.☆27Updated 4 years ago
- Implementation of the UNIFAC model☆10Updated 4 years ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆22Updated last week
- Sarkas Python MD suite for Dense Plasmas Physics☆16Updated 9 months ago
- TChem - A Software Toolkit for the Analysis of Complex Kinetic Models☆57Updated 4 months ago
- A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation☆60Updated 3 weeks ago
- Opensource software to model heterogeneous catalytic reactions. Based on Cantera☆16Updated last year
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆26Updated 5 years ago