Related papers: PyQCAMS: Python Quasi-Classical Atom-Molecule Scat…
We describe a computational investigation of tunneling at finite energy in a weakly coupled quantum mechanical system with two degrees of freedom. We compare a full quantum mechanical analysis to the results obtained by making use of a…
We propose a quantum tomography (QT) approach to retrieve the temporally evolving reduced density matrix in elecotronic state basis, where the populations and coherence between ground state and excited state are reconstructed from the…
Quantum algorithms for simulating large and complex molecular systems are still in their infancy, and surpassing state-of-the-art classical techniques remains an ever-receding goal post. A promising avenue of inquiry in the meanwhile is to…
We derive analytical solutions for the system of two ultracold spin-polarized fermions interacting in p wave and confined in an axially symmetric harmonic trap. To this end we utilize p-wave pseudopotential with an energy-dependent…
We propose and simulate a protocol to evolve a quantum particle forward in time such that its trajectory closely matches that of the particle's Newtonian counterpart. Using short bursts of Schr\"odinger time-evolution interleaved with…
The package performs molecular-dynamics-like agent-based simulations for models of aligning self-propelled particles in two dimensions such as e.g. the seminal Vicsek model or variants of it. In one class of the covered models, the…
Scanning tunneling and atomic force microscopies (STM/nc-AFM) are rapidly progressing to offer unprecedented spatial resolution of a diverse array of chemical species. In particular, they are employed to characterize on-surface chemical…
We present a model of non-ionizing scattering of electrons on atomic ensemble in matter, applicable in a wide electron energy range from ~eV up to relativistic ones. The approach based on the dynamic-structure factor formalism considers…
Atomic-scale simulations have progressed tremendously over the past decade, largely due to the availability of machine-learning interatomic potentials. These potentials combine the accuracy of electronic structure calculations with the…
Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…
We investigate a quasicontinuum method by means of analytical tools. More precisely, we compare a discrete-to-continuum analysis of an atomistic one-dimensional model problem with a corresponding quasicontinuum model. We consider next and…
The momentum transfer between the normal components to an index direction in the collision of an atom with a periodic surface is investigated. For fast atoms with grazing angle of incidence there is an interval of azimuthal angles around…
We suggest measuring the one-particle density matrix of a trapped ultracold atomic cloud by scattering fast atoms in a pure momentum state off the cloud. The lowest-order probability for the process, resulting in a pair of outcoming fast…
Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of…
RHIC experiments have established jet quenching as a fundamental tool in the study of hot matter in heavy-ion collisions. The energy reached is enough for high-pT inclusive particle studies and one- or two-particle correlations up to pT=…
We present a new open-source Python package for exact diagonalization and quantum dynamics of spin(-photon) chains, called QuSpin, supporting the use of various symmetries in 1-dimension and (imaginary) time evolution for chains up to 32…
The competition among reaction processes of a weakly-bound projectile at intermediate times of a slow collision has been unraveled. This has been done using a two-center molecular continuum within a semiclassical, time-dependent…
We introduce an algorithm for combinatorial search on quantum computers that is capable of significantly concentrating amplitude into solutions for some NP search problems, on average. This is done by exploiting the same aspects of problem…
We introduce an algorithm for combinatorial search on quantum computers that is capable of significantly concentrating amplitude into solutions for some NP search problems, on average. This is done by exploiting the same aspects of problem…
Preparing problems for execution on quantum computers can require many compilation steps. Automated compilation software is useful not only for easier and faster problem execution, but also for facilitating the comparison between different…