Steepest (Gradient) descent algorithm for energy minimization

Energy minimization is usually performed by gradient optimization: Here we explain the basic concept of the steepest descent method which is used for structure optimization. A toms are moved so as to reduce the net forces on them. The minimized structure has small forces on each atom and therefore serves as an excellent starting point for molecular dynamics simulations.

[@VANNGUYEN-du6zc]

Thank you. your explanation really helps

[@Dimetor7937]

Keep up the good work man!!

[@Mohamedshehata]

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[@sambhajimasal4248]

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[@Mohamedshehata]

All the best