Services

Technologies

Are you developing new products or technologies? Do you simulate the behaviour of materials or structures? Do you analyse large volumes of data? Are you using or planning to use artificial intelligence? Do you need to accelerate your computations or process workloads that conventional workstations can no longer handle?

HPC could be the right solution for you. We can help you identify opportunities to use HPC, gain access to computing resources, and successfully integrate HPC into your development, research, or innovation processes.

Advanced Modeling, Numerical Simulations

At our HPC centres, you will find the right technical platform for engineering applications, multiphysics simulations, and modelling across a wide range of natural science disciplines, including chemistry, molecular biology, materials science, and more.

We provide:

  • Help with transfer of your workload to the HPC environment and setting-up the tools and applications.
  • Identify and resolve perfomance, and/or parallel scaling bottlenecks.
  • Technical support and helpdesk "next-business-day"
  • We facilitate contact with experts in the engineering field across Europe to provide you with the expertise for your projects.

Engineering tools:

Ansys (commercial and academic license): Ansys is a powerful engineering simulation software used for structural analysis, fluid dynamics, heat transfer, and various other engineering simulations. The availability of both commercial and academic licenses allows users to leverage Ansys for a wide range of applications, from industrial projects to educational and research purposes.

OpenFoam: OpenFoam is an open-source computational fluid dynamics (CFD) software package. It provides a flexible and customizable environment for simulating fluid flow and heat transfer, making it a valuable tool for engineers and researchers working on diverse fluid dynamics problems.

Modelling in chemistry, mol-bio, and material domains:

  • Comprehensive software packages for quantum chemical calculations (molecular structure, properties, and reactivity) with an academic license.

QChem (including BrianQC): QChem is quantum chemistry software that enables accurate simulations of molecular structure and properties.

Molpro: Molpro is a comprehensive suite of programs for quantum chemistry designed for highly accurate calculations of molecular electronic structure.

Orca: Orca is a quantum chemistry program that offers a wide range of computational methods for studying molecular electronic structure. It is particularly useful for predicting molecular properties and simulating complex chemical systems.

  • Software packages for molecular dynamics, suitable for simulating extensive biological molecular systems and in materials science.

Gromacs a Haddock: Gromacs is a versatile software for molecular dynamics, while Haddock is used for protein-protein and protein-ligand docking.

LAMMPS: LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a powerful software for molecular dynamics designed to simulate extensive molecular systems. It is widely used in materials science, chemistry, and biochemistry.

NAMD: NAMD (NAnoscale Molecular Dynamics) is a molecular dynamics simulation software designed for studying large biomolecular systems. It is particularly well-suited for simulating complex biological processes at the atomic scale.

Quantum ESPRESSO: Quantum ESPRESSO is an integrated software suite for quantum simulations of materials. It offers a range of methods for electronic structure calculations.

Data Solutions & High-Performance Data Analytics

We help organizations with the design and optimization of data-intensive workflows in HPC environments, select appropriate software tools and computational resources, and implement scalable solutions for high-performance data analytics.

Artificial Intelligence

Artificial Intelligence services are provided through the AI Factory Antenna Slovakia (SK:AI:AT).

For organizations interested primarily in artificial intelligence, machine learning or foundation models, the National Competence Centre closely cooperates with the AI Factory Antenna Slovakia (SK:AI:AT), which provides dedicated AI expertise, advanced AI services and access to specialized AI infrastructure.

High-performance data processing

Process and analyse datasets that exceed the capabilities of conventional computing systems. HPC enables efficient parallel data preprocessing, distributed processing pipelines, large-scale ETL workflows, and high-throughput analysis of structured and unstructured data.

High-performance data analytics

Accelerate data-intensive analyses using parallel computing techniques. HPC systems enable scalable statistical analysis, distributed data analytics, and efficient processing of large scientific, industrial, or business datasets.

Data engineering and workflow optimization

Design efficient data workflows for HPC environments, optimize storage and parallel I/O performance, automate processing pipelines, and improve the scalability and efficiency of data-intensive applications.

Scientific and industrial data applications

HPC supports advanced data analysis across a wide range of domains, including genomics, bioinformatics, Earth observation, remote sensing, climate and environmental sciences, medical imaging, engineering simulations, and industrial sensor data.

Data workflow optimization

Improve the performance and scalability of data-intensive workflows by profiling applications, identifying computational bottlenecks, and optimizing data processing pipelines for parallel execution. HPC technologies support workflow automation and enable efficient processing of large datasets while maximizing the utilization of available computing resources.

Tools available in our HPC centres:

  • Slurm
  • Dask
  • Apache Spark
  • Python ekosystém (NumPy, Pandas, Polars)
  • RAPIDS
  • Parquet
  • HDF5
  • Zarr
  • JupyterLab

Quantum Computing & Quantum Simulation

Quantum computing represents one of the emerging technologies that will complement classical high-performance computing in solving selected computational problems.

Although practical quantum computing is still evolving, researchers and companies can already begin developing quantum algorithms, testing applications and acquiring practical experience through quantum simulators running on HPC systems.

NCC Slovakia supports organizations interested in quantum computing by providing access to quantum simulation environments, introductory training, technical consultations and connections to European experts within the EuroCC network.

Quantum simulators available in Slovakia

TUKE

  • Qaptiva quantum simulator, supporting various simulation frameworks: Linalg, Feynman, Stabilizer (Pauli), Matrix Product State (MPS), Advanced MPS (QPEG), Quantum Multivalued Decision Diagrams, QPU Noise Emulation, Quantum Annealing Simulation, Analog QPU Simulation

SAS

  • CUDA-Q
  • cuQuantum
  • NVIDIA Quantum SDK

These tools allow users to perform circuit simulations, design quantum-classical hybrid workflows and develop and test algorithms.

Quantum computers available for experimentation

  • VLQ (IT4I, Česko) superconducting technology, topology star with central resonator
  • EURO-O-EXA (LRZ, Nemecko) - superconducting technology, crystal topology
  • Lucy (GENCI/CEA, Francúzsko) - photonic technology, All-to-all connectivity topology all-to-all
  • Piast-Q (PCSS, Poľsko) - trapped-ions technology (trapped ions), all-to-all connectivity topology all-to-all

We provide:

  • introduction to quantum computing
  • identifying suitable quantum use cases
  • quantum algorithm prototyping
  • quantum software environments
  • hybrid HPC-Quantum workflows
  • access to quantum simulators
  • prístup k európskym kvantovým počítačom,
  • referrals to European quantum experts.