[7] She directs a research group there focused on the theoretical understanding of condensed phase quantum dynamics[4] and has co-authored over 100 scientific articles.
[7] Makri has developed novel methods for calculating numerically exact path integrals for the simulation of system dynamics in harmonic dissipative environments.
[8] Her simulation algorithms address the limitations of the Schrödinger equation, which can only describe physical changes exactly in the quantum state of small molecules.
[11] Her careful examinations of the system-harmonic bath model have resulted in techniques for avoiding the Monte Carlo sign problem.
[16][11] More recent work has focused on developing a methodology for forward-backward semiclassical dynamics using classical trajectory calculations.