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methcalchim

257 Occurrences trouvées, Dernière modification : il y a 15 mois

====== Calculation methods applied to chemistry ====== ===== Synopsis (english) ===== ==== Mathematica... Python.org]] interactive tutorial with code execution * [[https://www.datacamp.com/courses/intro-to... 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 C

numerical_methods_for_ordinary_differential_equations

47 Occurrences trouvées, Dernière modification : il y a 22 mois

====== Integration of Ordinary Differential Equations ====== * [[wp>Ordinary_differential_equation|Ordinary Differential Equations]] (ODE, ODEs) * [[wp>Numerical_methods_for_ordinary_differential_equ

system_of_linear_equations

37 Occurrences trouvées, Dernière modification : il y a 6 ans

====== System of linear equations ====== <note tip>Numerical methods used to solve such problem allow t... ndard algorithms and //i.e.// quadratic time solutions using LU decomposition.</note> ===== Theory ===== * [[wp>System_of_linear_equations]] * [[wp>Gaussian_elimination]], Gauss and Gau

partial_differential_equation

36 Occurrences trouvées, Dernière modification : il y a 2 ans

====== Numerical solutions of PDE ====== <note warning>In general, the numerical solutions of partial differential equations are obtained by standard methods developped and implemented in spec... ods * ... These methods often make use of variational principles. </note> * [[wp>Numerical_partial

eigenvalues_and_eigenvectors

21 Occurrences trouvées, Dernière modification : il y a 3 ans

thm|Eigenvalue algorithm]] * [[wp>Power_iteration|Power iteration]], a simple numerical algorithm producing a number $\lambda$, the greatest (in absolut... * [[wp>QR_algorithm|QR algorithm]] ===== Applications ===== * collisional relaxation * //e.g.// [[https://pubs.acs.org/doi/abs/10.1021/ed066p142|Coll

root-finding_algorithm

19 Occurrences trouvées, Dernière modification : il y a 6 ans

====== 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 ra

numerical_integration

18 Occurrences trouvées, Dernière modification : il y a 6 ans

====== 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_integration