We provide cost effective computational chemistry consulting and services to clients who currently have no in-house computational chemistry provision, or who require further computational chemistry expertise for specific projects.
Clients choose us as their computational chemistry partner allowing them to concentrate on their area of expertise, as well as, reduce costs due to in-house staffing and software/hardware acquisitions.
We can also externally project-manage ventures, delivering on-time, on-budget, quality results.
We have expertise in the following areas:
- Force-field development
- Molecular Dynamics
- QM (HF, DFT, MPx, CI) structure refinement
- QM (HF, DFT, MPx, CI) properties
- IR, NMR, UV spectra simulation
- QM Method Optimization (Basis Sets, Functional, etc.)
- Ligand Docking
- QSAR
- Data Analysis
- Software Development