Hauptseminar Multiscale Simulations SS 2016

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Seminar (Talks and Discussion)
Date and Time
weekly during the SS 2016; Day and time tba ; the dates are specified per topic
Institut für Computerphysik, room 01.079
Credit Points
4 SWS = 6 CP (ECTS)
Prof. Dr. Christian Holm (ICP)
Dr. Jens Smiatek (ICP)
JP. Dr. Maria Fyta (ICP)
Course Number
We expect the participants to have fundamental knowledge in classical and statistical mechanics, thermodynamics, electrodynamics, and partial differential equations.
Registration for the Seminar
Please write an email to Maria Fyta until February 1st at 24:00. A date for a first meeting will be announced soon to gauge the interest of the students, discuss the topics, and handle the topic assignment. Topics must be chosen before February 15.
There will be organizational meeting that will be mandatory to all participants on February 4, 2016 at 13:00 to discuss topics and style and other requirements.

Schedule, speakers and resources

Date Time Topic Speaker Tutor
tba tba Density functional theory: simulating DNA| tba tba Frank Maier Talk Handout

tba tba Exchange-correlation functionals in density functional theory: electronic properties of DNA | tba tba Bibek Adhikari Talk Handout

tba tba Quantum transport simulations: sensing DNA | tba tba Ganesh Sivaraman Talk Handout

tba tba Coupling MD and DFT: DNA translocation through pores | tba tba Maria Fyta Talk Handout

tba tba Ab initio molecular dynamics: Proton transport in water | tba tba Frank Uhlig Talk Handout

tba tba Classical atomistic force fields for single- and double-stranded DNA | tba tba Ewa Anna Oprzeska-Zingrebe Talk Handout

tba tba Reactive force fields: simulating chemical reactions| tba tba Narayanan Krishnamoorthy Anand Talk Handout

tba tba A Forward Flux Sampling approach: Polymer translocation through nanopores| tba tba Jens Smiatek Talk Handout

tba tba Ion transport through nanopores via atomistic simulations| tba tba Florian Weik Talk Handout

tba tba A coarse grained model for electrokinetic applications of DNA transport through nanopores| tba tba Gary Davies Talk Handout
tba tba An electrokinetic LB based model for ion transport and macromolecular electrophoresis| tba tba Michael Kuron Talk Handout

tba tba Mean-field modelling of EOF and electrophoresis with the FEM based COMSOL program| tba tba Georg Rempfer Talk Handout

Getting the credit points

To get the credit points for the seminar, the following criteria should be met:

  • All participants must:
    • Make the first appointment with their supervisor 2 months (a minimum of 8 weeks) before giving their talk
    • Have read the literature provided on the website/by the supervisor before this first meeting
    • Hand in a draft of their presentation 1 month (a minimum of 4 weeks) before giving their talk
    • Give a trial talk 2 weeks in advance of their public talk and hand in their final draft of the handout
    • Hand in the final version of their handout 1 week in advance
    • Give their talk at the arranged time
    • Be present at all talks
    • Take part in the discussions following the talks
  • The handout:
    • Consists of 8 to 10 A4 pages (incl. pictures; 10 pt font, single space text)
    • Describes the contents of the talk, written out in full
    • Is written for the other participants
    • Is written in English
  • The talk:
    • Consists of material pertaining to the topic
    • Has a length of 45 minutes
    • Is prepared in electronic form
    • Is held in English
  • Participants are graded according to:
    • The quality of the trial talk and final draft of the hand out (50%)
    • The quality of the final presentation (25%)
    • The level of participation in the discussion (25%)