A framework for 3D molecular fields calculations
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Updated
Sep 24, 2017 - Python
A framework for 3D molecular fields calculations
A short Python-based permutator for (microwave) frequency-loop calculations
Software implementation of a couple of my easily iterable solubility equations.
Computational implementation of Brusselator, a theoretical model for a type of autocatalytic reaction.
My MSc thesis: Molecular movies and geometry reconstruction using Coulomb explosion imaging. EDIT: Perfect 2^8 = 256 commits means I should never commit to this repo again.
A simple script to plot volume X temperature X pressure for ideal gases
A repo for some tables I use in classes
Solubility and concentration database of common chemical substances.
my thesis code for NNP
Calculate error propagation (CHEM 373)
A Simple code for calculating Energy, Frequencies, Thermochemistry and Optimization
Educational ipython source code for applied thermodynamics.
Using Python to solve thermodynamic cubic equations of state
Thrust curve modelling tool for hybrid NOs rockets
A M.Sc project for classifying mineral spectra taken by handheld LIBS measurements using Python and the Keras framework.
UV-vis spectra simulation program from oscillator strength results.
This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biology students at ETHZ
This is a software to help food scientists in their everyday lab work making easy to calculate physical chemical parameters in a range of food sources
Visual Simulation of Molecular Dynamics using the Cairo library
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