相关论文: RhoDyn: a $\rho$-TD-RASCI framework to study ultra…

We use density-matrix theory to calculate the ultrafast dynamics of unconventional superconductors from a microscopic viewpoint. We calculate the time evolution of the optical conductivity as well as pump-probe spectra for a d-wave order…

We present a new velocity-gauge real-time, time-dependent density functional tight-binding (VG-rtTDDFTB) implementation in the open-source DFTB+ software package (https://dftbplus.org) for probing electronic excitations in large, condensed…

Starting from the Dirac equation, the relativistic quantum hydrodynamic equations for Dirac electrons on a surface of a three dimensional-topological insulator (TI) are derived and numerically solved to study the spin plasmons. The surface…

Rydberg atoms in optical lattices and tweezers is now a well established platform for simulating quantum spin systems. However, the role of the atoms' spatial wavefunction has not been examined in detail experimentally. Here, we show a…

Molecular dynamics (MD) simulation has long been the principal computational tool for exploring protein conformational landscapes and dynamics, but its application is limited by high computational cost. We present ProTDyn, a foundation…

Motivated by the recent rapid development of the field of quantum gases in optical lattices, we present a comprehensive study of the spectrum of ultracold atoms in a one-dimensional optical lattice subjected to a periodic lattice…

We investigate the resonantly enhanced tunneling dynamics of ultracold bosons loaded on a tilted 1-D optical lattice, which can be used to simulate a chain of Ising spins and associated quantum phase transitions. The center of mass motion…

We utilize a 3D hybrid hydro+micro model for a comprehensive and consistent description of soft and hard particle production in ultra-relativistic heavy-ion collisions at RHIC. In the soft sector we focus on the dynamics of (multi-)strange…

We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear…

An atomic-orbital basis set framework is presented for carrying out velocity- gauge real-time time-dependent density functional theory (TDDFT) simulations in periodic systems employing range-separated hybrid functionals. Linear optical…

The increasing need to simulate the dynamics of photoexcited molecular and nanosystems in the sub-picosecond regime demands new efficient tools able to describe the quantum nature of matter at a low computational cost. By combining the…

The interaction between free electrons and laser-induced near-fields provides a platform to study ultrafast processes and quantum phenomena while enabling precise manipulation of electron wavefunctions through linear and orbital momentum…

Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under various external perturbations such as laser fields. In this work, we present a novel approach to accelerate real time TDDFT…

Plasmonic nanocavities are a promising platform for strong light-matter coupling and enhanced spectroscopies at the single-molecule level. These nanoscale environments are challenging to model due to their strongly multimodal character and…

We report the observation and control of ultrafast non-equilibrium many-body electron dynamics in Rydberg-excited spatially-ordered ultracold atoms created from a three-dimensional unity-filling atomic Mott insulator. By implementing…

Radiation controls the dynamics and energetics of many astrophysical environments. To capture the coupling between the radiation and matter, however, is often a physically complex and computationally expensive endeavour. We develop a…

Processes involving ultrafast laser driven electron-phonon dynamics play a fundamental role in the response of quantum systems in a growing number of situations of interest, as evidenced by phenomena such as strongly driven phase…

The time-dependent restricted-active-space self-consistent-field (TD-RASSCF) method is formulated based on the TD variational principle. In analogy with the configuration-interaction singles (CIS), singles-and-doubles (CISD),…

Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic time scales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit…

Atomic beams are powerful tools for measuring spin coherence in hot vapors but require bulky setups, limiting device miniaturization. We demonstrate that micron-thin vapor cells can mimic atomic beam behavior by exploiting…