The services of the

Our Services

The NCC team will assist your company in the adpotion of HPC solutions in research, development or industrial process, train your employees and facilitate access to computational resources. We offer free of charge consultations and „test before invest“ services. We also offer collaboration on specific projects with NCC experts – get in touch now!

Advanced Modeling, Numerical Simulations

NCC offers free consultations, services and access to software tools for engineering and modelling in chemistry, molecular biology and material science:

  • 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.
  • 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.