Related papers: Local temperature measurement in molecular dynamic…
A recent experiment has observed the antiferromagnetic interaction between the ground state $^1S_0$ and the metastable state $^3P_0$ of $^{171}$Yb atoms, which are fermionic. This observation combined with the use of state-dependent optical…
We determine quantum precision limits for estimation of damping constants and temperature of lossy bosonic channels. A direct application would be the use of light for estimation of the absorption and the temperature of a transparent slab.…
A method for the calculation of elastic constants in the NVT ensamble, using molecular dynamics (MD) simulation with a realistic many-body embedded-atom-model (EAM) potential, is studied in detail. It is shown that in such NVT MD…
By developing a two-dimensional (2D) full quantum simulation, the attributes of carbon nanotube field-effect transistors (CNTFETs) in different temperatures have been comprehensively investigated. Simulations have been performed by…
We apply the mode coupling theory (MCT) which was recently worked out for molecular liquids to a liquid of diatomic, rigid molecules. Using the static correlators from a molecular dynamics simulation, we have solved the MCT-equations for…
High-fidelity, data-driven models that can quickly simulate thermal behavior during additive manufacturing (AM) are crucial for improving the performance of AM technologies in multiple areas, such as part design, process planning,…
We introduce a practical hybrid approach that combines orbital-free density functional theory (DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulations. Equilibrated ionic configurations are generated using…
Local kinetic equilibration is a prerequisite for hydrodynamics to be valid. Here it is described through a nonlinear diffusion equation for finite systems of fermions and bosons. The model is solved exactly for constant transport…
Full quantum statistical $NVT$ simulation of the five-particle system H$_3^+$ has been carried out using the path integral Monte Carlo method. Structure and energetics is evaluated as a function of temperature up to the thermal dissociation…
In this study, we investigated the graphene-ionic liquid (EMImBF4) interface to clarify the effects of ambient temperature and potential on the differential capacitance. We complemented molecular dynamics simulations with density functional…
We study local temperature fluctuations in a 2+1 dimensional CFT on the sphere, dual to a black hole in asymptotically AdS spacetime. The fluctuation spectrum is governed by the lowest-lying hydrodynamic modes of the system whose frequency…
In traditional finite-temperature Kohn-Sham density functional theory (KSDFT), the well-known orbitals wall restricts the use of first-principles molecular dynamics methods at extremely high temperatures. However, stochastic density…
Quantum simulations with ultra-cold atoms in optical lattices open up an exciting path towards understanding strongly interacting quantum systems. Atom gas microscopes are crucial for this as they offer single-site density resolution,…
An interferometric technique is proposed for determining the spatial forms of the individual degrees of freedom through which a many body system can absorb energy from its environment. The method separates out the coherent excitations…
Quantum molecular dynamic simulations are introduced to study the dynamical, electrical, and optical properties of carbon dioxide under dynamic compressions. The principal Hugoniot derived from the calculated equation of states is…
The accuracy of a model to describe the horizontal dynamics of a confined quasi-two-dimensional system of inelastic hard spheres is discussed by comparing its predictions for the relaxation of the temperature in an homogenous system with…
We show that a local measurement of temperature and voltage for a quantum system in steady state, arbitrarily far from equilibrium, with arbitrary interactions within the system, is unique when it exists. This is interpreted as a…
We characterize the high-temperature thermodynamics of rotating bosons and fermions in two- (2D) and three-dimensional (3D) isotropic harmonic trapping potentials. We begin by calculating analytically the conventional virial coefficients…
We implement molecular dynamics simulations in canonical ensemble to study the effect of confinement on a $2d$ crystal of point particles interacting with an inverse power law potential proportional to $r^{-12}$ in a narrow channel. This…
We investigate the feasibility of early fault-tolerant quantum algorithms focusing on ground-state energy estimation problems. In particular, we examine the computation of the cumulative distribution function (CDF) of the spectral measure…