most citedParametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations

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physics.chem-ph2018

Simulating vibronic spectra via Matsubara dynamics: coping with the sign problem

Sven Karsten, Sergei D. Ivanov, Sergey I. Bokarev +1

Measuring the vibronic spectrum probes dynamical processes in molecular systems. When interpreted via suitable theoretical tools, the experimental data provides comprehensive infor…

physics.chem-ph2015★ 28 cited

Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations

Fabian Gottwald, Sven Karsten, Sergei D. Ivanov +1

Fundamental understanding of complex dynamics in many-particle systems on the atomistic level is of utmost importance. Often the systems of interest are of macroscopic size but can…