相关论文: Quantum Self-Consistent Ab-Initio Lattice Dynamics

Quantum effects of lattice vibration play a major role in many physical properties of condensed matter systems, including thermal properties such as specific heat, structural phase transition, as well as phenomena such as quantum crystal…

We present an update of BQCD, our Hybrid Monte Carlo program for simulating lattice QCD. BQCD is one of the main production codes of the QCDSF collaboration and is used by CSSM and in some Japanese finite temperature and finite density…

Simple Quantum Integro-Differential Solver (SQuIDS) is a C++ code designed to solve semi-analytically the evolution of a set of density matrices and scalar functions. This is done efficiently by expressing all operators in an SU(N) basis.…

Automatic differentiation represents a paradigm shift in scientific programming, where evaluating both functions and their derivatives is required for most applications. By removing the need to explicitly derive expressions for gradients,…

The package performs molecular-dynamics-like agent-based simulations for models of aligning self-propelled particles in two dimensions such as e.g. the seminal Vicsek model or variants of it. In one class of the covered models, the…

Spontaneous chiral symmetry breaking in QCD with massless quarks at infinite volume can be seen in a finite box by studying, for instance, the dependence of the chiral condensate from the volume and the quark mass. We perform a feasibility…

In this work, we revisit the thermodynamical self-consistency of the quasiparticle model with the finite baryon chemical potential adjusted to lattice QCD calculations. Here, we investigate the possibility that the effective quasiparticle…

A precise lattice determination of the equation of state in SU(3) Yang-Mills theory is carried out by means of a simulation algorithm, based on Jarzynski's theorem, that allows one to compute physical quantities in thermodynamic…

Due to the subtle balance of intermolecular interactions that govern structure-property relations, predicting the stability of crystal structures formed from molecular building blocks is a highly non-trivial scientific problem. A…

This contribution presents an improved low-order 3D finite element formulation with hourglass stabilization using automatic differentiation (AD). Here, the former Q1STc formulation is enhanced by an approximation-free computation of the…

We discuss a program suite for simulating Quantum Chromodynamics on a 4-dimensional space-time lattice. The basic Hybrid Monte Carlo algorithm is introduced and a number of algorithmic improvements are explained. We then discuss the…

We consider a system of ultracold atoms in an optical lattice as a quantum simulator for electron-positron pair production in quantum electrodynamics (QED). For a setup in one spatial dimension, we investigate the nonequilibrium phenomenon…

We investigate the thermodynamic properties and the lattice stability of two-dimensional crystalline membranes, such as graphene and related compounds, in the low temperature quantum regime $T\rightarrow0$. A key role is played by the…

Coherent control of motional degrees of freedom of ultracold atoms in optical lattices offers a promising route towards programmable quantum dynamics with massive particles. We propose and analyze a scheme for implementing coherent…

Cesium based halide perovskites, such as CsPbI3 and CsSnI3, have emerged as exceptional candidates for next generation photovoltaic and optoelectronic technologies, but their practical application is limited by temperature dependent phase…

With strongly bound and stable excitons at room temperature, single-layer, two-dimensional organic-inorganic hybrid perovskites are viable semiconductors for light-emitting quantum optoelectronics applications. In such a technological…

Quantum computers promise to revolutionize our ability to simulate molecules, and cloud-based hardware is becoming increasingly accessible to a wide body of researchers. Algorithms such as Quantum Phase Estimation and the Variational…

Quantum chaotic dynamics is obtained for a tight-binding model in which the energies of the atomic levels at the boundary sites are chosen at random. Results for the square lattice indicate that the energy spectrum shows a complex behavior…

Manipulation of solid-state spin coherence is an important paradigm for quantum information processing. Current systems either operate at very low temperatures or are difficult to scale-up. Developing low-cost, scalable materials whose…

We theoretically analyze the efficiency of a protocol for creating mesoscopic superpositions of ion chains, described in [Phys. Rev. A 84, 063821 (2011)], as a function of the temperature of the crystal. The protocol makes use of…