thermodynamic-calculations

There are 1 repository under thermodynamic-calculations topic.

calphy
ICAMS / calphy
A Python library and command line interface for automated free energy calculations
free-energy free-energy-calculations interatomic-potentials lammps molecular-dynamics thermodynamic-calculations
Language:Python 58
LLNL / EQ3_6
EQ3/6, a Software Package for Geochemical Modeling
kinetic-modeling thermodynamic-calculations geochemical-modeling
10
soap-tastes-ok / thermo-ml
Thermodynamics powered by Machine Learning
thermodynamic-properties thermodynamics machine-learning artificial-intelligence neural-networks thermochemistry enthalpy entropy heat-capacity thermodynamic-models thermodynamic-simulation thermodynamic-calculations quantum-chemistry chemistry statistics-modeling materials-science materials-informatics materials-engineering gibbs-energy phase-diagram
Language:Python 10
gemshub / GEMS3K
gibbs-energy-minimization thermodynamic-calculations geochemical-modeling chemical-equilibrium-calculations gem-selektor metastability kinetic-modeling reactive-transport-simulations
Language:C++ 7
despasito
jaclark5 / despasito
DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output
saft thermodynamic-calculations eos parametrization equation-of-state equations-of-state
Language:Python 7
ipqa-research / fenvelopes
Program to calculate phase boundaries of multicomponent systems using Equations of State. WIP now suporting PT envelopes and PX envelopes with partial three-phase-behaviour
envelope equation-of-state fortran fortran-package-manager phase-equilibria phase-equilibrium thermodynamic-calculations thermodynamics-models
Language:Fortran 6
sebagodoy / stegoplot
Ab-initio thermodynamics and Reaction Energy Profiles
chemical-kinetics dft ab-initio dft-calculations matplotlib python reactions thermodynamic-calculations
Language:Python 3
charbileigh / Thermodynamic-Temperature-Tables
The purposes of the projects are to calculate and simulate the thermodynamic steam table temperatures by making use of VBA (Visual Basic Applications) and python scripts.
mechanical-engineering python-3 vba-macros thermodynamic-properties thermodynamic-simulation thermodynamic-calculations
Language:Python 1
dvd101x / web-thermodynamics
This is a simple example of how to run CoolProp Javascript wrapper with Units handled by mathjs
coolprop thermodynamic-properties mathjs physics calculator-javascript javascript engineering humidity hvac thermodynamic-calculations psychrometrics relative-humidity ashrae moist-air dew-point
Language:JavaScript 1
ThisisSSBishal / ThermoCycles_Models
Repository for all of my work on modelling thermodynamic cycles using python and coolprop ; Hope this might be useful to someone! :-)
thermodynamics thermodynamic-properties thermodynamics-models thermodynamic-cycles thermodynamic-calculations powercycle cycle powerplant coolprop supercritical rankine-cycle bratoncycle rankine-reheat recompression validation
Language:Python 1
mtod92 / equpy
Package to solve multiple chemical equilibria problems.
binding-affinity chemistry chemistry-education chemistry-solver thermodynamic-calculations thermodynamics
Language:Jupyter Notebook 0
awashmore / LeeKeslerCorrelation
It takes a system's volume and temperature and then uses Lee Kesler Correlation values to relate pressure to temperature and volume while assuming ideal gas laws. This is an iterative process to find an approximate pressure.
thermodynamic-calculations thermodynamics
Language:C++
jochym / hecss
HECSS is a Monte-Carlo, configuration space sampler using sample weighting algorithm for probability distribution sampling.
computational-physics lattice-dynamics physics scientific-computing solid-state-physics thermodynamic-calculations
Language:Jupyter Notebook
JosePaor / ChemBIP
ChemBIP is a versatile and powerful tool designed to estimate binary interaction parameters essential for Vapor Liquid Equilibrium (VLE).
gams optimization thermodynamic-calculations
Language:GAMS
srivathsanps-quantum / Engine-thermodynamic-calculation
Thermodynamic cycle of engine processes
diesel engine thermodynamic-calculations thermodynamics
Language:MATLAB