Related Experiment Video
Updated: Jun 17, 2025
10:52
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
12.8K
RealTimeTransport: An open-source C++ library for quantum transport simulations in the strong coupling regime
Konstantin Nestmann1, Martin Leijnse1, Maarten R Wegewijs2,3,4
1Division of Solid State Physics and NanoLund, Lund University, S-22100 Lund, Sweden.
The Journal of Chemical Physics
|August 12, 2024
Summary
RealTimeTransport is a new C++ library for quantum transport simulations. It accurately computes transport observables in strong coupling regimes, overcoming limitations of traditional theories.
Area of Science:
- Quantum physics
- Condensed matter physics
- Computational physics
Background:
- Quantum transport in strong system-reservoir coupling is theoretically challenging.
- Existing methods often fail at low temperatures or in complex systems.
- Specialized computational tools are needed for accurate analysis.
Purpose of the Study:
- Introduce RealTimeTransport, an open-source C++ library for quantum transport.
- Enable computation of stationary and transient transport observables.
- Go beyond traditional approximations in system-reservoir coupling.
Main Methods:
- Computation of Nakajima-Zwanzig memory kernels in real-time.
- Renormalized perturbation theory (leading and next-to-leading order).
- Two- and three-loop, self-consistent renormalization-group transformation of memory kernels.
Main Results:
- Developed a library that avoids low-temperature breakdown of traditional theories.
- Achieved refined quantitative predictions, including Kondo enhancement of cotunneling.
- Demonstrated analysis of stationary transport in a double quantum dot and time-evolution in the Anderson model.
Conclusions:
- RealTimeTransport provides advanced methods for quantum transport simulations.
- The library offers accurate predictions for complex quantum systems.
- Applicability and benchmarking against other methods are discussed.
Related Concept Videos
01:24Reynolds Transport Theorem
1.1K
The Reynolds transport theorem provides a framework to relate the time rate of change of an extensive property within a system to that in a control volume, which is crucial for analyzing fluid dynamics. Extensive properties, such as mass, velocity, acceleration, temperature, and momentum, can be expressed in terms of the mass of a fluid portion. These properties are called extensive because they depend on the system's size, while intensive properties are their corresponding values per unit...
1.1K
01:26Transmission-Line Differential Equations
251
Transmission lines are essential components of electrical power systems. They are characterized by the distributed nature of resistance (R), inductance (L), and capacitance (C) per unit length. To analyze these lines, differential equations are employed to model the variations in voltage and current along the line.
Line Section Model
A circuit representing a line section of length Δx helps in understanding the transmission line parameters. The voltage V(x) and current i(x) are measured...
Line Section Model
A circuit representing a line section of length Δx helps in understanding the transmission line parameters. The voltage V(x) and current i(x) are measured...
251
01:23Equilibrium Conditions for a Particle
1.1K
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...
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...
1.1K
01:05Estimation of the Physical Quantities
4.2K
On many occasions, physicists, other scientists, and engineers need to make estimates of a particular quantity. These are sometimes referred to as guesstimates, order-of-magnitude approximations, back-of-the-envelope calculations, or Fermi calculations. The physicist Enrico Fermi was famous for his ability to estimate various kinds of data with surprising precision. Estimating does not mean guessing a number or a formula at random. Instead, estimation means using prior experience and sound...
4.2K
02:45The Quantum-Mechanical Model of an Atom
42.1K
Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
42.1K
01:17Coupled Reactions
7.6K
Cellular processes such as building and breaking down complex molecules occur through stepwise chemical reactions. Some of these chemical reactions are spontaneous and release energy, whereas others require energy to proceed. Cells often couple the energy-releasing reaction with the energy-requiring one to carry out important cell functions.
Energy in adenosine triphosphate or ATP molecules is easily accessible to do work. ATP powers the majority of energy-requiring cellular reactions....
Energy in adenosine triphosphate or ATP molecules is easily accessible to do work. ATP powers the majority of energy-requiring cellular reactions....
7.6K