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
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Updated
Feb 8, 2021 - Python
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
Plots for reversible first order reactions
Computational implementation of Brusselator, a theoretical model for a type of autocatalytic reaction.
Personal blog.
A short Python-based permutator for (microwave) frequency-loop calculations
Stochastic chemical kinetics using Gillespie algorithm and chemical master equation, application to enzyme kinetics
Physical Chemistry Fun for Python!
A Simple code for calculating Energy, Frequencies, Thermochemistry and Optimization
A collection of Python-code that I use/have been using for my work in neutron diffraction, molecular magnetism and as a TA in physical chemistry
This notebook predicts the three lattice constants of the Perovskite compound. Here, the anion is the Oxygen atom. The feature vector is composed of the atomic radii of two cations and the Goldschmidt tolerance factor.
Some summaries for lectures of the RW/CSE curriculum
A Simple Algorithm for Converting Random Number Generator Outputs to Universal Distributions to Aid Teaching and Research in Modern Physical Chemistry
my thesis code for NNP
Code for solving modified Gaussian renormalized fluctuation theory for a single charged surface
physical chemistry 3 class supplementary information
Code for solving modified Gaussian renormalized fluctutation theory for a system of two charged plates
QMol-grid provides a MATLAB suite of routines for performing quantum-mechanical simulations in atomic and molecular systems.
A repository for my applied math investigations into various interdisciplinary topics
Visual Simulation of Molecular Dynamics using the Cairo library
A simple script to plot volume X temperature X pressure for ideal gases
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