Related papers: A Laboratory Frame Density Matrix for Ultrafast Qu…
One drawback of conventional quantum state tomography is that it does not readily provide access to single density matrix elements, since it requires a global reconstruction. Here we experimentally demonstrate a scheme that can be used to…
We computationally demonstrate a new method for coherently controlling the rotation-axis direction in asymmetric top molecules with an optical centrifuge. Appropriately chosen electric-field strengths and the centrifuge's acceleration rate…
Recently, warm dense matter (WDM) has emerged as an interdisciplinary field that draws increasing interest in plasma physics, condensed matter physics, high pressure science, astrophysics, inertial confinement fusion, as well as materials…
A finite-dimensional pseudo-unitary framework is set up for describing the dynamics of free elementary particles in a purely relativistic quantum mechanical way. States of any individual particles or antiparticles are defined as suitably…
Through the introduction of a class of trial wave functions portraying combined rotations and vibrations of molecules formed through particle localization in concentric polygonal rings, a correlated basis is constructed that spans the…
We review achievements made in recent years in the field of numerical modeling of ultra-relativistic projectiles propagation in oriented crystals, radiation emission and related phenomena. This topic is highly relevant to the problem of…
We study the dynamics of a quantum system in which an intermediate property $m$ is measured in between initial and final measurements of two different non-commuting properties $a$ and $b$. Since this intermediate measurement must involve an…
We study a partially ionized hydrogen plasma by means of quantum molecular dynamics, which is based on wave packets. We introduce a new model which distinguishes between free and bound electrons. The free electrons are modelled as Gaussian…
n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…
Several finite dimensional quasi-probability representations of quantum states have been proposed to study various problems in quantum information theory and quantum foundations. These representations are often defined only on restricted…
Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…
A quasi-classical model (QCM) of molecular dynamics in intense femtosecond laser fields has been developed, and applied to a study of the effect of an ultrashort `control' pulse on the vibrational motion of a deuterium molecular ion in its…
We provide a description of interacting quantum fields in terms of density matrices for any occupation numbers in Fock space in a momentum basis. As a simple example, we focus on a real scalar field interacting with another real scalar…
Two types of approaches to modeling molecular systems have demonstrated high practical efficiency. Density functional theory (DFT), the most widely used quantum chemical method, is a physical approach predicting energies and electron…
We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density…
Starting from a new principle inspired by quantum tomography rather than from Born's rule, this paper gives a self-contained deductive approach to quantum mechanics and quantum measurement. A suggestive notion for what constitutes a quantum…
Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…
An experiment to test for relativistic frame dragging effects with quantum interferometry is proposed. The idea that the classical trajectories of the interferometer surround a spherical mass source whose angular momentum is perpendicular…
Accurate control of quantum systems requires precise measurement of the parameters that govern the dynamics, including control fields and interactions with the environment. Parameters will drift in time and experiments interleave protocols…
The partitioning of small molecules in cell membranes---a key parameter for pharmaceutical applications---typically relies on experimentally-available bulk partitioning coefficients. Computer simulations provide a structural resolution of…