High-Performance Computing

Wissenschaftliches Rechnen an der Freien Universität Berlin

Die ZEDAT bietet allen Mitgliedern der Freien Universität HPC-Ressourcen an. Das Angebot umfasst folgende Bereiche:
  • Bereitstellung von Rechenkapazitäten
  • Beratung
  • Beschaffung und Wartung wissenschaftlicher Software

Dieser Dienst wird von verschiedenen Arbeitsgruppen in Anspruch genommen, unter anderem aus den Fachgebieten Chemie, Physik, Meteorologie, Neurowissenschaften, Medizin, Biologie und Wirtschaftswissenschaften.


19.11.2015 09:33
Die Laufzeit in der Partition 'test' wurde auf 3 Stunden reduziert.

23.07.2015 09:25
Soroban steht im Normalbetrieb wieder zur Verfügung.

21.07.2015 16:54
Soroban steht im Testbetrieb wieder zur Verfügung.

Aktuelle Forschungsergebnisse

A numerical model study on the behaviour of Asian summer monsoon and AMOC due to orographic forcing of Tibetan Plateau
Bijan Fallah, Ulrich Cubasch, Kerstin Prömmel, Sahar Sodoudi
Climate Dynamnics 2015, pages 1-11 DOI
Host and Symbiont Jointly Control Gut Microbiota during Complete Metamorphosis
Paul R. Johnston & Jens Rolff
PLoS Pathogens 11(11): e1005246 (2015) DOI
  The neural basis of bilingual language decisions: Activation patterns throughout the word processing network reflect language similarity and identity
Oganian Y., Conrad, M., Aryani, A., Spalek, K. & Heekeren H.R.
Journal of Cognitive Neuroscience (2015) DOI
  Cognitive and neural mechanisms of bilingual decision making: from visual word recognition to decisions under risk
Yulia Oganian
Doctoral Thesis, FU Berlin, 2015
Experimental and Theoretical Investigations of the Existence of CuII, CuIII, and CuIV in Copper Corrolato Complexes
Woormileela Sinha, Michael G. Sommer, Naina Deibel, Fabian Ehret, Prof. Dr. Matthias Bauer, Prof. Dr. Biprajit Sarkar, Dr. Sanjib Kar
Angewandte Chemie, Volume 54, Issue 46, November 9, 2015, Pages 13769–13774 Link
mech-LiCoO2_figure.jpg Mechanism of Li intercalation/deintercalation into/from the surface of LiCoO2
Ashkan Moradabadi and Payam Kaghazchi
Phys. Chem. Chem. Phys., 2015, 17, 22917 Link
Mechanism of the Glycosidic Bond Cleavage of Mismatched Thymine in Human Thymine DNA Glycosylase Revealed by Classical Molecular Dynamics and Quantum Mechanical/Molecular Mechanical Calculations
Natalia Kanaan, Ramon Crehuet, and Petra Imhof
J. Phys. Chem. B, 2015, 119 (38), pp 12365–12380 Link
  Beobachtung der Konformationsdynamik von RNA mit Hilfe von MD-Simulation
Lukas Schmidt
Batchelor Thesis, FU Berlin, 2015
Structural Characteristics of the Allosteric Binding Site Represent a Key to Subtype Selective Modulators of Muscarinic Acetylcholine Receptors
Marcel Bermudez, Christin Rakers and Gerhard Wolber
Molecular Informatics; Volume 34, Issue 8, pages 526–530 (2015) DOI
  Structural Basis for Tailor-Made Modulation of G Protein Coupled Receptor Functionality
Marcel Bermudez Sasso
Doctoral Thesis, FU Berlin, 2015 Link
  ReVO and ReVNPh complexes with pentadentate benzamidines – Synthesis, structural characterization and DFT valuation of isomeric complexes
Hung Huy Nguyen, Chien Thang Pham, Ulrich Abram
Polyhedron, Volume 99, 15 October 2015, Pages 216–222 DOI
On the origin of anisotropic lithiation of silicon
Jochen Rohrer, Ashkan Moradabadi, Karsten Albe, Payam Kaghazchi
Journal of Power Sources Volume 293, 20 October 2015, Pages 221–227 DOI
Hybrid density functional calculations of the surface electronic structure of GdN
Lukas Eugen Marsoner Steinkasserer, Beate Paulus, and Nicola Gaston
Phys. Rev. B 91, 235148 – Published 29 June 2015 DOI
Calculation of the stability of nonperiodic solids using classical force fields and the method of increments: N2O as an example
Carsten Müller and Daniel Spångberg
Journal of Computational Chemistry, Volume 36, Issue 18, pages 1420–1427, July 5, 2015 DOI
  Impact of secondary structure and hydration water on the dielectric spectrum of poly-alanine and possible relation to the debate on slaved versus slaving water
Klaus F. Rinne, Julius C. F. Schulz and Roland R. Netz
J. Chem. Phys. 142, 215104 (2015) DOI