相关论文: Quantum Self-Consistent Ab-Initio Lattice Dynamics
A sharp stability analysis of atomistic-to-continuum coupling methods is essential for evaluating their capabilities for predicting the formation and motion of lattice defects. We formulate a simple one-dimensional model problem and give a…
Hybrid classical-quantum algorithms aim at variationally solving optimisation problems, using a feedback loop between a classical computer and a quantum co-processor, while benefitting from quantum resources. Here we present experiments…
We simulate lattice QCD with dynamical $u$ and $d$ quarks at finite chemical potential, $\mu_I$, for the third component of isospin ($I_3$), at both zero and at finite temperature. At zero temperature there is some $\mu_I$, $\mu_c$ say,…
We demonstrate an efficient and accurate, general-purpose first-principles blueprint for calculating anharmonic vibrational free energy and predicting structural phase transition temperatures of solids. Thermodynamic integration is…
Quantum chromodynamics, most commonly referred to as QCD, is a relativistic quantum field theory for the strong interaction between subatomic particles called quarks and gluons. The most systematic way of calculating the strong interactions…
Quasicrystals are aperiodically ordered solids that exhibit long-range order without translational periodicity, bridging the gap between crystalline and amorphous materials. Due to their lack of translational periodicity, information on…
In this paper we extend the classical method of lattice dynamics to defective crystals with partial symmetries. We start by a nominal defect configuration and first relax it statically. Having the static equilibrium configuration, we use a…
We here present, the ElasTool package, an automated toolkit for calculating the second-order elastic constants (SOECs) of any two- (2D) and three-dimensional (3D) crystal systems. It can utilize three kinds of strain-matrix sets, the…
In these lectures, we introduce finite temperature QCD on the lattice to non-experts of the subject. We first formulate lattice QCD both at zero and finite temperatures. Then a section is devoted to the topic of improved lattice actions…
Three-dimensional lattices are fundamental to solid-state physics. The description of a lattice with an atomic basis constitutes the necessary information to predict solid phase properties and evolution. Here, we present a new algorithm for…
We use the quantum action to study the dynamics of quantum system at finite temperature. We construct the quantum action non-perturbatively and find temperature dependent action parameters. Here we apply the quantum action to study quantum…
We examine quantum decay of localized vibrations in anharmonic crystal lattice. The theory which describes two-phonon anharmonic relaxation can be applied both to local modes associated with substitutional impurity and to intrinsic local…
Quantum discord is a function of density-matrix elements (and through them, e.~g., of temperature, applied fields, time, and so forth). The domain of such a function in the case of two-qubit system with X or centrosymmetric (CS) density…
Lattice QCD with additional chiral-invariant four-fermion interactions is studied at nonzero temperature. Staggered Kogut-Susskind quarks are used. The four-fermion interactions are implemented by introducing bosonic auxiliary fields. A…
We construct a family of equations of state for QCD in the temperature range 30 MeV $\leq T\leq$ 800 MeV and in the chemical potential range $0\leq \mu_B \leq$ 450 MeV. These equations of state match available lattice QCD results up to…
Quasiparticle dynamics in relativistic plasmas associated with hot, weakly-coupled gauge theories (such as QCD at asymptotically high temperature $T$) can be described by an effective kinetic theory, valid on sufficiently large time and…
Quasicrystals and their periodic approximants are complex phases, which have by now been observed in many metallic alloys, soft matter systems, and particle simulations. In recent experiments of thin-film perovskites on solid substrates,…
Halide perovskite quantum dots exhibit cooperative optical phenomena that are absent in conventional semiconductor nanocrystals, including exciton superradiance, superabsorption, and biexciton superradiance within individual dots. Here we…
We demonstrate an approach for calculating temperature-dependent quantum and anharmonic effects with beyond density-functional theory accuracy. By combining machine-learned potentials and the stochastic self-consistent harmonic…
Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical dynamics in condensed phase. To facilitate effective development,…