Improved algorithm for geometry optimisation using damped molecular dynamics

DOI10.1016/S0021-9991(03)00308-5zbMath1030.82501MaRDI QIDQ1413123

M. I. J. Probert

Publication date: 16 November 2003

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

zbMATH Keywords

Numerical analysiscomputational methodsacceleration of convergenceMechanics of particles and systems

Mathematics Subject Classification ID

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

Cites Work

• Optimization by Simulated Annealing
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