相关论文: Quantum harmonic free energies for biomolecules an…
Lattice vibrations within crystalline solids, or phonons, provide information on a variety of important material characteristics, from thermal qualities to optical properties and phase transition behaviour. When the material contains light…
We initiate the systematic study of experimental quantum physics from the perspective of computational complexity. To this end, we define the framework of quantum algorithmic measurements (QUALMs), a hybrid of black box quantum algorithms…
Thermal channels -- the free processes allowed in the resource theory of quantum thermodynamics -- are generalised to thermal instruments, which we interpret as implementing thermodynamically free quantum measurements; a Maxwellian demon…
In a previous paper, we have developed a general theory of thermodynamic limits. We apply it here to three different Coulomb quantum systems, for which we prove the convergence of the free energy per unit volume. The first system is the…
The relationship between thermodynamics and statistical physics is valid in the thermodynamic limit - when the number of particles becomes very large. Here, we study thermodynamics in the opposite regime - at both the nano scale, and when…
A new physical implementation for quantum computation is proposed. The vibrational modes of molecules are used to encode qubit systems. Global quantum logic gates are realized using shaped femtosecond laser pulses which are calculated…
For small thermodynamic systems in contact with a heat bath, we determine the free energy by imposing the following two conditions. First, the quasi-static work in any configuration change is equal to the free energy difference. Second, the…
We study theoretically the quantum optical properties of hybrid molecules composed of an individual quantum dot and a metallic nanoparticle. We calculate the resonance fluorescence of this hybrid system. Its incoherent part, the one arising…
The computation of molecular excitation energies is essential for predicting photo-induced reactions of chemical and technological interest. While the classical computing resources needed for this task scale poorly, quantum algorithms…
We present a rigorous and efficient approach to the calculation of classical lattice-dynamical quantities from simulations that do not require an explicit solution of the time evolution. We focus on the temperature-dependent vibrational…
During the long course of evolution, nature has learnt how to exploit quantum effects. In fact, recent experiments reveal the existence of quantum processes whose coherence extends over unexpectedly long time and space ranges. In…
The primary consideration in developing new material platforms for quantum applications is to optimize coherence. Despite its importance, decoherence processes remains challenging to experimentally interrogate and quantify. In this…
Heat and work are fundamental concepts for thermodynamical systems. When these are scaled down to the quantum level they require appropriate embeddings. Here we show that the dependence of the particle spectrum on system size giving rise to…
We investigate the fundamental limitations imposed by thermodynamics for creating correlations. Considering a collection of initially uncorrelated thermal quantum systems, we ask how much classical and quantum correlations can be obtained…
Using heuristic arguments alone, based on the properties of the wavefunctions, we obtain the energy eigenvalues and the corresponding eigenfunctions of the one-dimensional harmonic oscillator. This approach is considerably simpler and is…
We introduce a classical algorithm to approximate the free energy of local, translation-invariant, one-dimensional quantum systems in the thermodynamic limit of infinite chain size. While the ground state problem (i.e., the free energy at…
The nitrogen-vacancy center in diamond has been broadly applied in quantum sensing since it is sensitive to different physical quantities. Meanwhile, it is difficult to isolate disturbances from unwanted physical quantities in practical…
Biomolecular thermodynamics and spectroscopy depend on relative conformer energies, local curvatures, and collective dipole fluctuations on the potential-energy surface. Conventional molecular mechanics force fields enable large-scale…
Two possibile applications of the optimized expansion for the free energy of the quantum-mechanical anharmonic oscillator are discussed. The first method is for the finite temperature effective potential; the second one, for the classical…
A method is proposed for the calculation of vibrational quantum and thermal expectation values of physical properties from first principles. Thermal lines are introduced: these are lines in configuration space parametrized by temperature,…