Related papers: Ultrafast Internal Conversion Dynamics Through the…
The ultrafast dynamic evolution of an atomic system under medium-strength laser fields is studied by performing transient absorption measurement. An analytical model developed from perturbation theory with a modified transition dipole…
Phase transitions induced by short optical pulses is a new mainstream in studies of cooperative electronic states. Its special realization in systems with neutral-ionic transformations stands out in a way that the optical pumping goes to…
Current advances in ultrafast electron microscopy make it possible to combine optical pumping of a nanostructure and electron beam probing with sub{\aa}ngstrom and femtosecond spatiotemporal resolution. We present a theory predicting that…
In response to a community prediction challenge, we simulate the nonadiabatic dynamics of cyclobutanone using the mapping approach to surface hopping (MASH). We consider the first 500 fs of relaxation following photo-excitation to the S2…
The anisotropic effective mass of electrons is directly measured using time-resolved THz- pump/THz-probe techniques in a n-doped InGaAs semiconductor thin film. A microscopic theory is used to attribute this anisotropy in the THz probe…
Femtosecond pump-probe spectroscopy is applied to identify transient optical signatures of phase transitions in optimally doped YBa2Cu3O7-{\delta} films. To elucidate the dynamics of superconducting and pseudogap phases, the slow thermal…
A new direct air capture (DAC) technology uses a moisture swing (MS) process with anion exchange membranes, potentially offering a more energy-efficient way to remove CO2 from the air. In this MS process, the membrane absorbs CO2 as it…
Ultrafast non-equilibrium dynamics offer a route to study the microscopic interactions that govern macroscopic behavior. In particular, photo-induced phase transitions (PIPTs) in solids provide a test case for how forces, and the resulting…
Nonadiabatic molecular dynamics is an effective method for modeling nonradiative decay in electronically excited molecules. Its accuracy depends strongly on the quality of the potential energy surfaces, and its affordability for long…
Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as…
We present a novel optical transient absorption and reflection microscope based on a diffraction-limited pump pulse in combination with a wide-field probe pulse, for the spatio-temporal investigation of ultrafast population transport in…
Nonadiabatic transition (NAT) drives a variety of x-ray-induced photochemistry and photophysics used in nature and various fields. To clarify the x-ray-induced NAT dynamics, we performed nonadiabatic molecular dynamics simulations on…
We derive and implement analytic nuclear gradients and derivative couplings for a constrained Complete Active Space Self-Consistent Field with a small active space designed to model electron or hole transfer. Using a Lagrangian formalism,…
We introduce a novel methodology for simulating the excited-state dynamics of extensive molecular aggregates in the framework of the long-range corrected time-dependent density-functional tight-binding fragment molecular orbital method…
Ultrafast light-matter interaction has emerged as a powerful tool to control and probe the macroscopic properties of functional materials, especially two-dimensional transition metal dichalcogenides which can form different structural…
Ultrafast spectroscopy paved the way for probing transient states of matter produced through photoexcitation. Despite significant advances, the microscopic processes governing the formation of these states remain largely unknown. This study…
Transient absorption in plasmonic materials has recently attracted attention of the chemistry and optics communities as a technique to understand dynamic processes and hot carriers generation on ultrafast timescales. In this context, hybrid…
We introduce a new technique to probe the properties of an interacting cold atomic gas that can be viewed as a dynamical compressibility measurement. We apply this technique to the study of the superfluid to Mott insulator quantum phase…
Atomic-scale disorder shapes the potential energy landscape traversed by photoexcited charge carriers, while the carriers themselves also dynamically reshape this landscape. However, resolving ultrafast photocarrier motion at atomic length…
This work expands on our recently introduced low Mach enthalpy method [1] for simulating the melting and solidification of a phase change material (PCM) alongside (or without) an ambient gas phase. The method captures PCM's volume change…