Bio-systems and Ionic liquids

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In this topical group we discuss a broad area of research including biological systems and materials. We perform atomistic simulations at two levels, classical as well as quantum-mechanical. Our areas of interests are:

  • Biological systems
  • Pure/bio-materials
  • Dielectrics/ionic liquids
  • Force fields


The meeting takes place biweekly on Tuesday at 10:30, if not indicated differently.

  • Wed, 18.09.2013: Initial meeting
  • Tue, 22.10.2013: Bibek Adhikari, Martin Vögele and Frank Maier presented their progress report
  • Tue, 05.11.2013: Discussions were made regarding the Assembly of Carbon-Onions (Maria Fyta, Bibek Adhikari, Ganesh Sivaraman) and FFS on Alanine Dipeptide (Hannes Zemann)
  • Tue, 19.11.2013: Konrad Breitsprecher will talk about his progress on Ionic Liquids and Ganesh Sivaraman will discuss about Diamondoid-Nucleobase Interactions
  • Tue, 03.12.2013: More discussions on Carbon Onions and Diamondoids
  • Tue, 17.12.2013 (at 1 p.m): Frank Maier will talk about Diamondoid-Nucleobase complexes and Martin Vögele will talk about MARTINI models of PSS and PDADMA.
  • Tue, 14.01.2014: Nanopore meeting kickstarts : Discussions on DNA translocation and functionalized nanopores


For classical simulations, we use

For quantum mechanical simulations, we use