Improved algorithm for geometry optimisation using damped molecular dynamics

DOI10.1016/S0021-9991(03)00308-5MaRDI QIDQ1413123zbMATH OpenFDO

Authors M. I. J. Probert

Publication date 16 November 2003

Published in Journal of Computational Physics (Search for Journal in Brave)

zbMATH Keywords

computational methodsacceleration of convergenceNumerical analysisMechanics of particles and systems

Mathematics Subject Classification ID

Interacting particle systems in time-dependent statistical mechanics (82C22)

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Cites work

• scientific article; zbMATH DE number 1082719 (Why is no real title available?)
• scientific article; zbMATH DE number 194921 (Why is no real title available?)
• Optimization by simulated annealing

Cited in

(2)

• An improved algorithm for molecular dynamics simulation of rigid molecules
• ACCELERATING CONVERGENCE OF MOLECULAR DYNAMICS-BASED STRUCTURAL RELAXATION

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