Simulation and Data Laboratory Quantum Materials

SDL Quantum Materials

The Simulation and Data Laboratory Quantum Materials (SDLQM) provides expertise in the field of quantum-based simulations in Materials Science with a special focus on High-Performance Computing and scientific Machine Learning. SDLQM acts as a high-level support structure in dedicated projects and hosts research projects dealing with fundamental aspects of method development, algorithmic optimization, and performance improvement. The Lab acts as an enabler of large-scale simulations on current HPC platforms as well as training learning models based on in-silico simulations.

  • Institute for Advanced Simulation (IAS)
  • Jülich Supercomputing Centre (JSC)
Building 14.14 /
Room 4017
+49 2461/61-2527
E-Mail

Goals

  • The development of a numerical library (JuNLib) tailored to computational tasks emerging from Materials Science codes;
  • The optimization and modernization of Materials Science codes running on supercomputing architectures;
  • The maturation of mathematical models and tools for the advancement of simulation methods in Materials Science;
  • The execution of large scale simulations and their analysis;
  • Supporting flexible and sustainable programming practices for software developed in the Materials Science community;
  • The maintenance of a team of qualified scientists and technicians through funding initiatives;
  • The organization of workshops, symposia and courses pertaining to HPC and simulations in the realm of Quantum Materials Science.

Research

The SDLQM carries on several research projects in three distinct categories:

  • Development and maintenance of numerical libraries tailored to computational tasks emerging from Materials Science simulation software;
  • Design and implementation of high-performance algorithms targeting specific simulation codes in the broad area of quantum materials;
  • Development of new mathematical and computational models aimed at improving performance, accuracy and scalability of simulations within a methodological framework.

Research Areas

Projects and collaborations

Software development

Team, support, publications and news

Last Modified: 30.05.2022