Martin Brehm

TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories

Martin Brehm, Barbara Kirchner · Journal of Chemical Information and Modeling · 2011 · 1.3K citations

Engineering, Molecular Dynamics Trajectories, Trajectory Analyzer +17

TRAVIS—A free analyzer for trajectories from molecular simulation

Martin Brehm, M. Thomas, Sascha Gehrke et al. · The Journal of Chemical Physics · 2020 · 692 citations · Full text

Computational Biophysics, Engineering, Physics +13

Computing vibrational spectra from ab initio molecular dynamics

Martin A. Thomas, Martin Brehm, Reinhold Fligg et al. · Physical Chemistry Chemical Physics · 2013 · 576 citations

Engineering, Computational Chemistry, Chemistry +16

Proton transfer and polarity changes in ionic liquid–water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate–water mixtures—Part 1

Martin Brehm, Henry Weber, Alfonso S. Pensado et al. · Physical Chemistry Chemical Physics · 2012 · 151 citations

Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-<i>n</i>-Butyl-3-methylimidazolium Bromide

Miriam Kohagen, Martin Brehm, Jens Thar et al. · The Journal of Physical Chemistry B · 2010 · 148 citations