Recent developments in TURBOMOLE
Related Experiment Video
Updated: Oct 31, 2026

Cooling an Optically Trapped Ultracold Fermi Gas by Periodical Driving
Published on: March 30, 2017
Yannick J Franzke1, Manas Sharma2,3, Priyanshi Bhasin4
1Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Kaiserstraße 12, 76131 Karlsruhe, Germany.
Abstract:
TURBOMOLE is a general-purpose quantum-chemical and materials science program suite for large-scale and high-throughput simulations of molecules and periodic systems of arbitrary dimensionality. The primary focus is on robust and highly efficient methods from first principles. Applications range from the interpretation or even prediction of various spectroscopic results to the elucidation of catalytic or reaction mechanisms. In this review, we summarize the latest developments between 2020 and 2026, consisting of substantial advances in density functional theory and coupled-cluster methods of ground and excited states, relativistic approaches for magnetic properties, and embedding or multiscale frameworks. In addition, the introduction of a new complete active space and configuration interaction module extends the capabilities of the program suite to multireference systems with strong static correlation. Finally, the user-friendliness was greatly improved with TURBOMOLE version 8.0 (2025) by new input formats and default settings making simulations easily possible for expert and non-expert users with a diverse chemical, physical, materials science, or biochemical education and training.
Related Concept Videos
Turbulent Flow
Turbulent Flow: Problem Solving
Temperature is a key factor in CO2 solubility. In this case, the CO2 gas and the liquid are cooled to 20°C. Lower temperatures enhance...
Thermodynamic Processes
Equilibrium Conditions for a Particle
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...
Conservation of Mass in Finite Cotrol Volume
A system is defined as a collection of unchanging contents, and the conservation of mass states that a system's mass is constant.
Fermi Level Dynamics
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...

