Related papers: Local temperature measurement in molecular dynamic…
We develop a temperature dependent empirical pseudopotential theory to study the electronic and optical properties of self-assembled quantum dots (QDs) at finite temperature. The theory takes the effects of both lattice expansion and…
Molecular dynamics calculations of inelastic collisions of atomic oxygen with molecular nitrogen are known to show orders of magnitude discrepancies with experimental results in the range from room temperature to many thousands of degrees…
A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered…
Conventional wisdom is that increasing temperature causes quantum coherence to decrease. Using finite temperature perturbation theory and exact calculations for the strongly correlated bosonic Mott insulating state we show a practical…
The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…
The emergence of local phases in a trapped two-component Fermi gas in an optical lattice is studied using quantum Monte Carlo simulations. We treat temperatures that are comparable or lower than those presently achievable in experiments and…
We study near-equilibrium thermodynamics of bosonic atoms in a two-dimensional optical lattice by ramping up the lattice depth to convert a superfluid into an inhomogeneous mixture of superfluid and Mott insulator. Detailed study of in situ…
Many-electron systems at substantial finite temperatures and densities present a major challenge to density functional theory. Very little is known about the free-energy behavior over the temperature range of interest, for example, in the…
Recent advances in X-ray free-electron laser diagnostics have enabled direct probing of the electronic structure under extreme pressures and temperatures, such as those encountered in stellar interiors and inertial confinement fusion…
The equations of the temperature-accelerated molecular dynamics (TAMD) method for the calculations of free energies and partition functions are analyzed. Specifically, the exponential convergence of the law of these stochastic processes is…
We propose a method for temperature measurement by analyzing the frequency of generated time crystals in one-dimensional (1D) quantum droplets. The system consists of a binary Bose-Einstein condensate mixture confined in a driven…
The local equilibration time of quantum many-body systems has been conjectured to satisfy a `Planckian bound', $\tau_{\rm eq}\gtrsim \frac{\hbar}{T}$. We provide a sharp and universal definition of this time scale, and show that it is…
We present a detailed description of semi-quantum molecular dynamics simulation of stochastic dynamics of a system of interacting particles. Within this approach, the dynamics of the system is described with the use of classical Newtonian…
A study of the correlation between nuclear temperatures and symmetry energy is presented for heavy-ion collisions at intermediate energies via the isospin-dependent quantum molecular-dynamics model. It is found that different symmetry…
We propose a new mathematical tool for the study of transport properties of models for lattice vibrations in crystalline solids. By replication of dynamical degrees of freedom, we aim at a new dynamical system where the "local" dynamics can…
We study the finite temperature properties of quantum magnets close to a continuous quantum phase transition between two distinct valence bond solid phases in two spatial dimension. Previous work has shown that such a second order quantum…
We present an ab initio stochastic method for calculating thermal properties of a trapped, 1D Bose-gas covering the whole range from weak to strong interactions. Discretization of the problem results in a Bose-Hubbard-like Hamiltonian,…
The dynamics of active particles is of interest at many levels and is the focus of theoretical and experimental research. There have been many attempts to describe the dynamics of particles affected by random active forces in terms of an…
Torsional-space Monte Carlo simulations of flexible molecules are usually based on the assumption that all values of dihedral angles have equal probability in the absence of atomic interactions. In the present paper it is shown that this…
A measurement-based quantum computer could consist of a local-gapped Hamiltonian system, whose thermal states --at sufficiently low temperature-- are universal resources for the computation. Initialization of the computer would correspond…