17 citations · 18 across the 5 of their papers we have counts for
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physics.chem-ph2023★ 1 cited
Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Ab Initio Molecular Dynamics
Thomas Pigeon, Gabriel Stoltz, Manuel Corral-Valero +4
Computing accurate rate constants for catalytic events occurring at the surface of a given material represents a challenging task with multiple potential applications in chemistry.…
physics.chem-ph2023
Score function for the optimization of the performance of forward fill/flush differential flow modulation for comprehensive two-dimensional gas chromatography
Aleksandra Lelevic, Christophe Geantet, Chantal Lorentz +2
Modulation is the key element of the comprehensive two-dimensional gas chromatography separation. Forward fill/flush flow modulation is cost effective, robust and suitable for anal…