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- methcalchim
- ====== Calculation methods applied to chemistry ====== ===== Synopsis (english) ===== ==== Mathematica... //scipy.org/scipylib/index.html|SciPy]] numerical methods (integrations, ODE, PDE,...) * [[http://sym... n]], machine learning ==== Fundamental numerical methods ==== * [[system_of_linear_equations|Systems... Polynomial equations * Dichotomy * Secant method, Regula falsi * Newton-Raphson method *
- root-finding_algorithm
- ched. The rate of convergence depends on the used method and the function f(x). Some methods (Newton-Raphson) 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 arbitra
- partial_differential_equation
- l differential equations are obtained by standard methods developped and implemented in specialized softwares : * Finite element method * Finite volume method * Boundary element method * Spectral method * Multigrid methods * ... These methods often m
- numerical_methods_for_ordinary_differential_equations
- ential Equations]] (ODE, ODEs) * [[wp>Numerical_methods_for_ordinary_differential_equations|Numerical methods for ordinary differential equations]] * [[wp>Numerical_methods_for_ordinary_differential_equations#Euler_method|Euler method]] * [[wp>Runge–Kutta_methods|Run
- system_of_linear_equations
- em of linear equations ====== <note tip>Numerical methods used to solve such problem allow to introduce... braries/samples-public/html/notebooks/calculation_methods_applied_to_chemistry/Gauss-Jordan-01.ipynb]] ... operations. Also for solving a system using these method. * If the coefficient matrix is the same for
- numerical_integration
- n|Error estimation]] depends on parameters of the method and refinement of spatial grid discretization.... and mesh resolution. </note> * Equally spaced methods : * [[wp>Numerical_integration]] * [[