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- methcalchim
- ation methods applied to chemistry ====== ===== Synopsis (english) ===== ==== Mathematical prerequisi... d/]] * Includes these tools : * Jupyter notebook (interactive web-based environment) *... utorials, ... * [[https://medium.com/@denkasyanov/jupyter-notebook-tutorial-9c0ffa5ae9a1#.ufaor34wp|Jupyter Notebook Tutorial]], par Den Kasyanov (Med
- root-finding_algorithm
- ===== Root findings : equations f(x) = 0 ====== <note tip> Algorithm used to find roots of an equatio... hson) need the derivative of the function f(x). </note> * Polynomial equations : [[wp>Bairstow's_method|Bairstow's method]] is an efficient algorithm for finding the roots of a real polynomial of arbitrary degree * [[https://docs.scip
- numerical_methods_for_ordinary_differential_equations
- hods|Runge-Kutta methods]] * « most widely known member of the Runge–Kutta family is generally r... ois_Verhulst|Pierre François Verhulst]] model and non-linearity * bifurcation, period doubling and r... ary differential equations (the Lorenz equations, note it is not Lorentz) first studied by Edward Lorenz. It is notable for having chaotic solutions for c
- system_of_linear_equations
- ====== System of linear equations ====== <note tip>Numerical methods used to solve such problem allow ... quadratic time solutions using LU decomposition.</note> ===== Theory ===== * [[wp>System_of_linear_... : in Python, use the timeit module ===== Jupyter notebooks ===== * Example file (to be continued) : [[https://notebooks.azure.com/linusable/libraries/samples-publ
- numerical_integration
- ====== Numerical integration ====== <note tip> Calculation of definite integrals implies to replace the function by another one (usually a polynomial form) which is a good approximation and easier to compute. [[wp>Numeric... rs using various algorithm and mesh resolution. </note> * Equally spaced methods : * [[wp>Numer
- partial_differential_equation
- ====== Numerical solutions of PDE ====== <note warning>In general, the numerical solutions of partial ... thods often make use of variational principles. </note> * [[wp>Numerical_partial_differential_equat... ===== References ===== * Finite Volume Method (another numerical method) * [[https://levelup.git
- eigenvalues_and_eigenvectors
- ludwigl/2011populationdynamicsandma.pdf]],... * normal modes analysis (molecular vibrations) * PCA