Difference between revisions of "Application Experts"

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** Code optimisation in C and Fortran
 
** Code optimisation in C and Fortran
 
* Application areas and applications worked on include: Lattice quantum field theory, Biomolecular systems (Applications: NAMD, Gromacs), Computational plasma physics (Applications: Centori, GS2, GEM), Computational chemistry (Applications: Siesta, Castep, CP2K, GPAW), Computational fluid dynamics (Application: EBL3, OpenFOAM)  
 
* Application areas and applications worked on include: Lattice quantum field theory, Biomolecular systems (Applications: NAMD, Gromacs), Computational plasma physics (Applications: Centori, GS2, GEM), Computational chemistry (Applications: Siesta, Castep, CP2K, GPAW), Computational fluid dynamics (Application: EBL3, OpenFOAM)  
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* HPC training (general HPC, MPI, OpenMP)
 
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Revision as of 12:10, 3 May 2011

Torben Rasmussen, NSC

Torben Rasmussen
  • Application expert in computational chemistry
  • Work at NSC since 2008
  • Handle user relations, general support, software installations, etc.
  • Ph.D. in 2001
  • Five years of postdoctoral experience in the field covering applications within organic chemistry, biochemistry, and life science
  • Have used Gaussian and Jaguar extensively
  • Experience with parametrization of molecular mechanics force fields

Chandan Basu, NSC

Chandan Basu
  • Ph.D in computational Physics
  • Working at NSC since 2009
  • Working on benchmarking, optimization, scaling issues
  • Working on EU projects, e.g., IS-ENES, PRACE and also with SMHI

Johan Raber, NSC

Johan Raber
  • E-science coordinator
  • Work at NSC for two years as a Systems Expert
  • Handle user relations, general support etc.
  • PhD in Biophysics in 2007 at Uppsala University
  • MSc in Molecular Biotechnology Engineering
  • Long experience using Gaussian
  • Experience using GROMACS and Gaussian for QM/MD simulations

Joel Hedlund, NSC

Joel Hedlund
  • Application expert in bioinformatics.
  • Work at NSC since 2011.
  • Ph.D. in 2010.
  • Main scientific work in the field of sequence analysis and bioinformatic protein family characterisation.
  • Have used HMMER, BLAST and MSA extensively.

Joachim Hein, Lunarc & EPCC

  • Parallel expert
  • Working at Lunarc, Lund University, since 2010
  • Working at EPCC, The University of Edinburgh, since 2002
  • Doctorate in theoretical Physics (Lattice quantum field theory), Hamburg University, Germany, 1996
  • Areas of expertise include:
    • Message Passing with MPI
    • Shared memory programming with OpenMP
    • Code optimisation in C and Fortran
  • Application areas and applications worked on include: Lattice quantum field theory, Biomolecular systems (Applications: NAMD, Gromacs), Computational plasma physics (Applications: Centori, GS2, GEM), Computational chemistry (Applications: Siesta, Castep, CP2K, GPAW), Computational fluid dynamics (Application: EBL3, OpenFOAM)
  • HPC training (general HPC, MPI, OpenMP)

Jonathan Vincent, PDC

[[image:|frame|left|Jonathan Vincent]]

  • Application expert
  • Work at PDC since 2009
  • Handle advanced user support, software installations, etc.
  • Ph.D. 2000 in Semiconductor Physics, Postdoctoral experience in semiconductor physics and classical and quantum dynamics
  • Working on Benchmarking, code optimisation
  • Keywords : Cray XT6, Cray XE6, MPI, Benchmarking, Optimisation

Rossen Apostolov, PDC

Rossen Apostolov
  • Application expert in Molecular Dynamics simulations
  • Working at PDC since 2010
  • Ph.D. 2008 in Computational Biophysics
  • Working on Gromacs development
  • Keywords : Molecular Dynamics, Gromacs, GPGPU computing

Lilit Axner, PDC/KTH

Lilit Axner
  • Application expert in Computational Fluid Dynamics as well as Project manager for EU projects
  • Works at PDC since 2010
  • Ph.D. in Computer Science (2007)
  • Previously worked at Dutch National Supercomputer Center (SARA)
  • Experience in Lattice Boltzmann method, domain decomposition, load balancing, performance benchmarking, parallelization, mesh generation.
  • Managing the following projects Prace, Deisa, ScalaLife
    • Assisting applicants of these projects

Daniel Spångberg, UPPMAX

Daniel Spångberg
  • Application expert in molecular dynamics
  • Works at UPPMAX since 2004
  • Handles support, primarily of molecular dynamics simulations
  • Develops software, mainly related to molecular simulations
  • Ph.D. in 2003
  • User of Gaussian, GAMESS, Turbomole, CRYSTAL, VASP, CPMD


Mattias Slabanja, C3SE

File:Ms.jpg
Mattias Slabanja
  • Application expert, "modeling of materials"
  • Work at C3SE
  • Computational physics background (e.g. VASP user)
  • Recent AE related activities includes
    • contributions to the LAMMPS interface in the ASE framework
    • contributions to the SIESTA interface in the ASE framework