相关论文: Operator Method for Nonperturbative Calculation of…
Free energy calculations in molecular simulations have a variety of applications including determining the strength of molecular processes such as solvation and binding. It has been recently shown that when removing the VDW and Coulomb…
We derive a measurement operator corresponding to a quantum nondemolition (QND) measurement of an atomic ensemble. The quantum measurement operator takes the form of a positive operator valued measure (POVM) and is valid for arbitrary…
In this article, we briefly review dynamical and thermodynamical aspects of different forms of quantum motors and quantum pumps. We then extend previous results to provide new theoretical tools for a systematic study of those phenomena at…
The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…
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…
We present a quantum algorithm for computational fluid dynamics based on the Lattice-Boltzmann method. Our approach involves a novel encoding strategy and a modified collision operator, assuming full relaxation to the local equilibrium…
By using the quantum maximum entropy principle we formally derive, from a underlying kinetic description, isothermal (hydrodynamic and diffusive) quantum fluid equations for particles with Fermi-Dirac and Bose-Einstein statistics. A…
Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…
We review the euclidean path-integral formalism in connection with the one-dimensional non-relativistic particle. The configurations which allow to construct a semiclassical approximation classify themselves into either topological…
We describe a plausible-speculative form of quantum computation which exploits particle (fermionic, bosonic) statistics, under a generalized, counterfactual interpretation thereof. In the idealized situation of an isolated system, it seems…
Quantum statistical correlations and momentum distributions are calculated for a spherically symmetric, three-dimensionally expanding finite fireballs, for non-relativistic expansions applying plane-wave approximation. The new concepts of…
We present a new numerical algorithm based on a relative energy scaling for collisional kinetic equations allowing to study numerically their long time behavior, without the usual problems related to the change of scales in velocity…
For an open quantum system, we investigate the pumped current induced by a slow modulation of control parameters on the basis of the quantum master equation and full counting statistics. We find that the average and the cumulant generating…
The problem of the calculation of equilibrium thermodynamic properties and the establishment of statistical-thermodynamically-consistent finite bound-state partition functions in nonideal multi-component plasma systems is revised within the…
In this work, the use of the Boltzmann collision operator for dissipative quantum transport is analyzed. Its mathematical role on the description of the time-evolution of the density matrix during a collision can be understood as processes…
Statistical mechanics of the discrete nonlinear Schr\"odinger equation is studied by means of analytical and numerical techniques. The lower bound of the Hamiltonian permits the construction of standard Gibbsian equilibrium measures for…
Quantum computing holds great promise to accelerate scientific computations in fluid dynamics and other classical physical systems. While various quantum algorithms have been proposed for linear flows, developing quantum algorithms for…
Considering a general microscopic model for a quantum measuring apparatus comprising a quantum probe coupled to a thermal bath, we analyze the energetic resources necessary for the realization of a quantum measurement, which includes the…
We present a quantum algorithm based on repeated measurement to solve initial-value problems for nonlinear ordinary differential equations (ODEs), which may be generated from partial differential equations in plasma physics. We map a…
We derive an exact, continuous-variable path integral (PI) representation of the canonical partition function for electronically nonadiabatic systems. Utilizing the Stock-Thoss (ST) mapping for an N-level system, matrix elements of the…