Research Portal of Dr. Martin Brehm

Martin Brehm

Dear visitor,

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 —

Date Message
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).
  • Our article on compressing trajectories was published.
  • The bqbtool for compressing trajectories is now online.
  • There is a new TRAVIS release which supports bqb 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.

This website does not use any content management system; it consists purely of hand-written PHP, HTML, CSS, and JavaScript :-)

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