Research Portal of Dr. Martin Brehm
my name is Martin Brehm, and I present my activities in the fields of scientific research, software development, and teaching on this website. I am currently a junior group leader and habilitand in the group of Prof. Daniel Sebastiani, Halle (Saale), Germany.
This internet presence is under construction, and some pages do not yet contain content. Expect more to come within the next months.
If you have any questions, please feel free to contact me.
— News —
|01.02.2019||ORCA 4.1.1 has been released! It is a pure bugfix release, no new features were added. Apart from many other things, a few issues with the molecular dynamics module were fixed in this release.|
|13.12.2018||ORCA 4.1.0 has been released! It contains many new features, including a heavily improved molecular dynamics module which I contributed. You can now run AIMD simulations with ORCA, using all different methods that ORCA features :-)|
|04.11.2018||Just created the photo gallery of the STC 2018, which we organized in Halle. Feel free to get a few impressions of our conference :-)|
|25.10.2018||Uploaded a new release of TRAVIS (reorientation dynamics with 2nd Legendre polynomial now possible; some bugfixes).|
|22.10.2018||The new tutorial on computing vibrational spectra with CP2k and TRAVIS is online. It explains how to compute IR, Raman, VCD, and ROA spectra of bulk phase systems.|
|02.10.2018||Uploaded a bugfix release of TRAVIS (forgot to enable reading of bqb position trajectories).|
|15.09.2018||Website is online (took only 1 year ^^)|
|29.08.2018||I was giving a 90 minute lecture at the CP2K User Tutorial: "Computational Spectroscopy" in Paderborn. You can download my slides here.|
|03.09.2017||Domain is reserved.|
The picture in the header of this website is a snapshot of a DPPC bilayer simulation from this article.