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- methcalchim
- ====== Calculation methods applied to chemistry ====== ===== Synopsis (english) ===== ==== Mathematic... Python.org]] interactive tutorial with code execution * [[https://www.datacamp.com/courses/intro-t... coursera.org/course/interactivepython|An Introduction to Interactive Programming in Python (Beginners)... ra) * [[https://www.edx.org/course/introduction-computer-science-mitx-6-00-1x-9|Introduction to
- numerical_methods_for_ordinary_differential_equations
- ====== Integration of Ordinary Differential Equations ====== * [[wp>Ordinary_differential_equation|Ordinary Differential Equations]] (ODE, ODEs) * [[wp>Numerical_methods_for_ordinary_differential_e
- system_of_linear_equations
- ====== System of linear equations ====== <note tip>Numerical methods used to solve such problem allow ... wp>Time_complexity]], considering cubic time behavior of standard algorithms and //i.e.// quadratic time solutions using LU decomposition.</note> ===== Theory ===== * [[wp>System_of_linear_equations]] * [[wp>G
- partial_differential_equation
- ====== Numerical solutions of PDE ====== <note warning>In general, the numerical solutions of partial differential equations are obtained by standard methods developped and implemented in sp... ods * ... These methods often make use of variational principles. </note> * [[wp>Numerical_partia
- eigenvalues_and_eigenvectors
- thm|Eigenvalue algorithm]] * [[wp>Power_iteration|Power iteration]], a simple numerical algorithm producing a number $\lambda$, the greatest (in absol... * [[wp>QR_algorithm|QR algorithm]] ===== Applications ===== * collisional relaxation * //e.g.// [[https://pubs.acs.org/doi/abs/10.1021/ed066p142|Co
- 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>Numerical_integratio
- root-finding_algorithm
- ====== Root findings : equations f(x) = 0 ====== <note tip> Algorithm used to find roots of an equation use iterations, and a numerical criterion to accept a solution when a sufficiently accurate value is reached. The