Pinned Repositories
Clapeyron.jl
Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
GCIdentifier.jl
tools to perform group contribution (GC) identification, given the SMILES of a compound
introduction-to-computational-thermodynamics
A short course designed to introduce key concepts in computational thermodynamics to chemical engineers
CHSAFT
Polymer Demixing Modelling
pde-Solver-Course
Introduction to declarative PDE solvers
Caltech-CS155-2022
Assignments for Machine Learning & Data Assimilation, Winter 2022
CHSAFT
Polymer Demixing Modelling
CUiSING
OpenSAFT.jl
OpenSAFT provides a framework for the development and use of the Statistical Associating Fluid Theory (SAFT) family of equations.
ORCA_SAFT
Obtaining SAFT-VR Mie parameters from ab initio calculations in ORCA
pw0908's Repositories
pw0908/ORCA_SAFT
Obtaining SAFT-VR Mie parameters from ab initio calculations in ORCA
pw0908/CUiSING
pw0908/OpenSAFT.jl
OpenSAFT provides a framework for the development and use of the Statistical Associating Fluid Theory (SAFT) family of equations.
pw0908/Caltech-CS155-2022
Assignments for Machine Learning & Data Assimilation, Winter 2022
pw0908/CHSAFT
Polymer Demixing Modelling
pw0908/GitHubGraduation-2022
Join the GitHub Graduation Yearbook and "walk the stage" on June 11.
pw0908/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
pw0908/pierrewalker.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
pw0908/lammps
Public development project of the LAMMPS MD software package
pw0908/ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
pw0908/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
pw0908/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
pw0908/thermopack
Thermopack is a thermodynamic model library for fluid properties and PVT calculations
pw0908/Walker_Ideal_Cp