Recent developments in TURBOMOLE

Yannick J Franzke1, Manas Sharma2,3, Priyanshi Bhasin4

  • 1Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Kaiserstraße 12, 76131 Karlsruhe, Germany.

Related Concept Videos

Turbulent Flow01:24

Turbulent Flow

Turbulent flow is characterized by unpredictable fluctuations in velocity and pressure, which result in a chaotic fluid movement distinct from the orderly patterns of laminar flow. While laminar flow is governed by smooth, parallel layers with minimal mixing, turbulent flow exhibits highly irregular, three-dimensional patterns. This behavior arises due to instabilities in the fluid's velocity profile, and amplifies as the flow velocity increases. Minor disturbances, known as turbulent spots,...
Turbulent Flow: Problem Solving01:09

Turbulent Flow: Problem Solving

Carbonation is a process used to dissolve carbon dioxide gas in a liquid, commonly used in the production of carbonated beverages. Achieving efficient carbonation requires careful control of temperature, pressure, and flow conditions. By adjusting these parameters, carbonation efficiency can be maximized, producing a higher concentration of CO2 in the liquid.
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 Processes01:25

Thermodynamic Processes

A thermodynamic process is a path through a sequence of states that takes a system from an initial state to a final state. In a cyclic process, the system returns to its initial state, so the changes in state properties and state functions (ΔT, Δp, ΔV, ΔU, ΔH) over one complete cycle are zero. However, heat and work transfers can still occur during the cycle, and the net heat and net work over the cycle need not be zero.A reversible process occurs when the system is infinitesimally close to...
Equilibrium Conditions for a Particle01:23

Equilibrium Conditions for a Particle

When an object is in equilibrium, it is either at rest or moving with a constant velocity. There are two types of equilibrium: static and dynamic. Static equilibrium occurs when an object is at rest, while dynamic equilibrium occurs when an object is moving with a constant velocity. In both cases, there must be a balance of forces acting on the object.
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 Volume01:16

Conservation of Mass in Finite Cotrol Volume

The principle of conservation of mass is a fundamental law in fluid mechanics and is applied using the continuity equation. We apply the concept to a finite control volume to derive the continuity equation.
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 Dynamics01:12

Fermi Level Dynamics

The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
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...