The atomic simulation environment—a Python library for working with atoms
The atomic simulation environment (ASE) is a software package written in the Python
programming language with the aim of setting up, steering, and analyzing atomistic …
programming language with the aim of setting up, steering, and analyzing atomistic …
Nonequilibrium boundary-driven quantum systems: Models, methods, and properties
Recent years have seen tremendous progress in the theoretical understanding of quantum
systems driven dissipatively by coupling to different baths at their edges. This was possible …
systems driven dissipatively by coupling to different baths at their edges. This was possible …
Molecular-scale electronics: from concept to function
Creating functional electrical circuits using individual or ensemble molecules, often termed
as “molecular-scale electronics”, not only meets the increasing technical demands of the …
as “molecular-scale electronics”, not only meets the increasing technical demands of the …
Advances and challenges in single-molecule electron transport
Electronic transport properties of single-molecule junctions have been widely measured by
several techniques, including mechanically controllable break junctions, electromigration …
several techniques, including mechanically controllable break junctions, electromigration …
Quantum mechanical modeling of magnon-phonon scattering heat transport across three-dimensional ferromagnetic/nonmagnetic interfaces
Magnon-phonon scattering (MPS) has attracted widespread attention in quantum heat/spin
transport across the ferromagnetic/nonmagnetic (F/N) interfaces, with the rapid progress of …
transport across the ferromagnetic/nonmagnetic (F/N) interfaces, with the rapid progress of …
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J Enkovaara, C Rostgaard, JJ Mortensen… - Journal of physics …, 2010 - iopscience.iop.org
Electronic structure calculations have become an indispensable tool in many areas of
materials science and quantum chemistry. Even though the Kohn–Sham formulation of the …
materials science and quantum chemistry. Even though the Kohn–Sham formulation of the …
Coherent phonon heat conduction in superlattices
The control of heat conduction through the manipulation of phonons as coherent waves in
solids is of fundamental interest and could also be exploited in applications, but coherent …
solids is of fundamental interest and could also be exploited in applications, but coherent …
Density-functional method for nonequilibrium electron transport
We describe an ab initio method for calculating the electronic structure, electronic transport,
and forces acting on the atoms, for atomic scale systems connected to semi-infinite …
and forces acting on the atoms, for atomic scale systems connected to semi-infinite …
Coherence in Chemistry: Foundations and Frontiers
Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …
unsurprising that coherence has deep connections with the most contemporary issues in …
[كتاب][B] Quantum transport: atom to transistor
S Datta - 2005 - books.google.com
This book presents the conceptual framework underlying the atomistic theory of matter,
emphasizing those aspects that relate to current flow. This includes some of the most …
emphasizing those aspects that relate to current flow. This includes some of the most …