Axel Kohlmeyer

Full Professor of Research, Associate Director of the Institute for Computational Molecular Science, Leader of the High-Performance Computing (HPC) Team at Temple University in Philadelphia,  External Associate of the ICTP MHPC

Module P1.8: Best Practice in Scientific Computing

Lecturer: Axel Kohlmeyer (Temple U. & ICTP)

Module Description: A module where students are introduced to best practices in scientific computing from different perspective: software development with modern software engineering techniques, optimal exploitation of different HPC platforms, usage and maintenance of large scientific software packages.


Module P2.1: Searching, Sorting, Data Structures

Lecturer: Axel Kohlmeyer (Temple U. & ICTP) 

Module Description: Introduction to fundamental data structures and their impact on performance and memory consumption. Study parallelization issues. 

research interests

  • Software development
  • Engineering for scientific software in general and for simulation
  • Analysis of molecular dynamics simulation on highly parallel modern computer architectures 
  • Improving HPC education for scientists and engineers 
  • He is a core developer and co-maintainer of the LAMMPS Molecular Dynamics software package
  • He has contributed to several other popular scientific software packages like VMD, Quantum-Espresso, HOOMD-blue, CPMD or CP2k