相关论文: MADWAVE3: a quantum time dependent wave packet cod…
The rapidity dependence of elliptic, $v_2$, and triangular, $v_3$, flow coefficients in proton-nucleus (p+A) collisions is predicted in hydrodynamics and in a multi-phase transport model (AMPT). We find that $v_n$ ($n=2,3$) on a nucleus…
TurboRVB is a computational package for {\it ab initio} Quantum Monte Carlo (QMC) simulations of both molecular and bulk electronic systems. The code implements two types of well established QMC algorithms: Variational Monte Carlo (VMC),…
Following the discovery of graphene, interest in van der Waals (vdW) materials has surged; however, advancing physics beyond graphene requires quantum vdW materials platforms that host versatile, strongly interacting many-body states. Here,…
We have developed a high-order numerical method for the 3D simulation of viscous and inviscid multiphase flow described by a homogeneous equilibrium model and a general equation of state. Here we focus on single-phase, two-phase (gas-liquid…
We apply wave packet methods to study an ion-trap system in the strong excitation regime imposing neither the rotating wave nor the Lamb-Dicke approximations. By this approach we show the existence of states with restricted phase space…
We present the results of the high-temperature neutron and x-ray diffraction experiments on the Ca3-xSrxTi2O7 (x = 0.5, 0.8, 0.85, 0.9) compounds. The ferro- to paraelectric transition in these hybrid improper ferroelectric materials arises…
The dynamics of large scale plasma instabilities can strongly be influenced by the mutual interaction with currents flowing in conducting vessel structures. Especially eddy currents caused by time-varying magnetic perturbations and halo…
The nonadiabatic photodissociation dynamics of alkali halide molecules excited by a femtosecond laser pulse in the gas phase are investigated theoretically, and it is shown that the population of the photoexcited molecules exhibits…
A nonadiabatic scheme for the description of the coupled electron and nuclear motions in the ozone molecule was proposed recently. An initial coherent nonstationary state was prepared as a superposition of the ground state and the excited…
We describe a method to compute photon-matter interaction and atomic dynamics with X-ray lasers using a hybrid code based on classical molecular dynamics and collisional-radiative calculations. The forces between the atoms are dynamically…
Modeling the non-equilibrium dissipative dynamics of strongly interacting quantized degrees of freedom is a fundamental problem in several branches of physics and chemistry. We implement a quantum state trajectory scheme for solving…
We propose a systematic approach to the basis set extension for nonadiabatic dynamics of entangled combination of nuclear coherent states (CSs) evolving according to the time-dependent variational principle (TDVP). TDVP provides a rigorous…
A parallel dispersive finite-difference time-domain (FDTD) method for the modeling of three-dimensional (3-D) electromagnetic cloaking structures is presented in this paper. The permittivity and permeability of the cloak are mapped to the…
We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…
We present MadAnalysis 5, an analysis package dedicated to phenomenological studies of simulated collisions occurring in high-energy physics experiments. Within this framework, users are invited, through a user-friendly Python interpreter,…
We construct the velocity map images of the proton transfer reaction between helium and molecular hydrogen ions H2+. We perform simulations of imaging experiments at one representative total collision energy taking into account the inherent…
A central pursuit in theoretical chemistry is the accurate simulation of photochemical reactions, which are governed by nonadiabatic transitions through conical intersections. Machine learning has emerged as a transformative tool for…
Atom-photon bound states arise from the coupling of quantum emitters to the band edge of dispersion-engineered waveguides. Thanks to their tunable-range interactions, they are promising building blocks for quantum simulators. Here, we study…
A new parallelized simulation code is presented, which uses a Monte Carlo method to determine particle spectra in the KATRIN source. Reaction chains are generated from the decay of tritium within the source. The code includes all relevant…
We introduce the Turbulent Transport in Tokamaks via Stochastic Trajectories (T3ST) code, designed to address the problem of turbulent transport using a statistical approach complementary to gyrokinetics. The code employs test-particle…