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20152022
most citedOvercoming timescale and finite-size limitations to compute nucleation rates from small scale Well Tempered Metadynamics simulations

52 citations · 67 across the 3 of their papers we have counts for

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cond-mat.soft2022

Solubility of organic salts in solvent-antisolvent mixtures: A combined experimental and molecular dynamics simulations approach

Zoran Bjelobrk, Ashwin Kumar Rajagopalan, Dan Mendels +3

We combine molecular dynamics simulations with experiments to estimate solubilities of organic salts in complex growth environments. We predict the solubility by simulations of the…

cond-mat.soft2018★ 15 cited

3BrY nucleation: from dimers to needle-like clusters

Federico Giberti, Matteo Salvalaglio, Marco Mazzotti +1

The nucleation of 1,3,5-Tris(4-bromophenyl)- benzene (3BrY) occurs through the formation of amorphous intermediates. However, a detailed experimental characterization of the struct…