Application Experts

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