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20152026
most citedi-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations

382 citations · 1.7k across the 40 of their papers we have counts for

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physics.chem-ph2017★ 81 cited

Fine Tuning Classical and Quantum Molecular Dynamics using a Generalized Langevin Equation

Mariana Rossi, Venkat Kapil, Michele Ceriotti

Generalized Langevin Equation (GLE) thermostats have been used very effectively as a tool to manipulate and optimize the sampling of thermodynamic ensembles and the associated stat…