Symmetric Group LLP · Scientific computing

Molecular simulation, run to the standard of the decision it informs.

A consultancy specialising in machine-learning-accelerated atomistic simulation: quantum chemistry, ML interatomic potentials, enhanced-sampling molecular dynamics, and the GPU infrastructure that runs them at scale.

general@symmetricgroup.co.uk

Quantum chemistry

Mechanisms, reaction paths, and spin-state energetics at the electronic-structure level.

ML potentials

Machine-learned interatomic potentials: first-principles accuracy at force-field speed.

Enhanced sampling

OPES and metadynamics campaigns for free energies plain MD will never reach.

Research computing

Containerised, reproducible pipelines on cloud GPU fleets.

Clients
Bayer Svante SCREEN Materials Nexus Dassault Systèmes