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20192021
most citedConverged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation down to Ultra-low Temperatures at Coupled Cluster Accuracy

39 citations · 45 across the 2 of their papers we have counts for

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physics.comp-ph2019★ 6 cited

Nuclear quantum effects in molecular dynamics simulations

H. Dammak, M. Hayoun, F Brieuc +1

To take into account nuclear quantum effects on the dynamics of atoms, the path integral molecular dynamics (PIMD) method used since 1980s is based on the formalism developed by R.…