User:Rossen Apostolov (PDC)

Rossen Apostolov (PDC) Application expert in , 100% full time equivalent, financed by SNIC Office PDC, KTH Teknikringen 14, 4F SE-100 44 STOCKHOLM SWEDEN

Quick facts

• Working at PDC since 2010
• Ph.D. 2008 in Computational Biophysics
• Working on Gromacs development
• Involved in ScalaLife

Expertise

• Gromacs
• Molecular Dynamics

General Responsibilities

• Expert support to the end-users of MD applications
• Maintenance/benchmarking/performance analysis of MD simulations software on SNIC resources

Projects

• New format, library and API for efficient storage of binary trajectory data.
• Multi-level MD - hybrid-QM/MM simulations of membrane systems.
• Automated systems for multi-scale molecular simulations.