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Journal of Chemical Information and Modeling|September 19, 2018
An Efficient Lossless Compression Algorithm for Trajectories of Atom Positions and Volumetric DataMartin Brehm, Martin ThomasJournal of Chemical Theory and Computation|June 28, 2019
Computing Bulk Phase Resonance Raman Spectra from ab Initio Molecular Dynamics and Real-Time TDDFTMartin Brehm, Martin ThomasMolecules (Basel, Switzerland)|April 3, 2021
Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase SimulationsMartin Brehm, Martin ThomasThe Journal of Physical Chemistry Letters|July 8, 2017
Computing Bulk Phase Raman Optical Activity Spectra from ab initio Molecular Dynamics SimulationsMartin Brehm, Martin ThomasPhysical Chemistry Chemical Physics : PCCP|December 19, 2014
Voronoi dipole moments for the simulation of bulk phase vibrational spectraMartin Thomas, Martin Brehm, Barbara KirchnerChemistry (Weinheim an Der Bergstrasse, Germany)|December 31, 2013
How can a carbene be active in an ionic liquid?Martin Thomas, Martin Brehm, Oldamur Hollóczki, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 20, 2015
Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic LiquidsMartin Brehm, Henry Weber, Martin Thomas, et al.Physical Chemistry Chemical Physics : PCCP|February 19, 2013
Computing vibrational spectra from ab initio molecular dynamicsMartin Thomas, Martin Brehm, Reinhold Fligg, et al.The Journal of Chemical Physics|July 17, 2014
Simulating the vibrational spectra of ionic liquid systems: 1-ethyl-3-methylimidazolium acetate and its mixturesMartin Thomas, Martin Brehm, Oldamur Hollóczki, et al.The Journal of Chemical Physics|October 12, 2018
Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetateMartin Brehm, Daniel SebastianiPageof 14