382 citations · 1.7k across the 36 of their papers we have counts for
Showing 2014Show all
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physics.chem-ph2014★ 88 cited
On the Consistency of Approximate Quantum Dynamics Simulation Methods for Vibrational Spectra in the Condensed Phase
Mariana Rossi, Hanchao Liu, Francesco Paesani +2
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of…
physics.chem-ph2014★ 311 cited
How to remove the spurious resonances from ring polymer molecular dynamics
Mariana Rossi, Michele Ceriotti, David E. Manolopoulos
Two of the most successful methods that are presently available for simulating the quantum dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring polyme…