HPC Module: Turbomole
Synopsis
| About This Software | |
|---|---|
| Official Site | https://www.turbomole.org |
| Tags |
Installed Versions
| Version | Install Date | Default? |
|---|---|---|
| 7.8.1 | 2025-03-20 |
Description
TURBOMOLE is a powerful quantum chemistry software package for ab initio and density functional theory (DFT) calculations. It provides highly efficient methods for electronic structure calculations, including Hartree-Fock, MP2, coupled-cluster, and various DFT functionals. TURBOMOLE is optimized for parallel execution and large molecular systems, making it well-suited for high-performance computing (HPC) environments.
Category
| Library | Programming | Software | SysAdmin |
|---|---|---|---|