Key Features
- Share Protocols
- Data Analysis
- Data Extraction
- Collaborative experimentation
TURBOMOLE is a software package for ab initio electronic structure calculations in quantum chemistry.
TURBOMOLE implements a variety of ab initio electronic structure methods in quantum chemistry, including density functional theory (DFT), wavefunction-based methods such as Hartree-Fock, Møller–Plesset or coupled cluster theory and other methods.