Easily convert units of time, energy and frequency.

UNIT CONVERSION TOOLS

Get Started

Plasmonics, strong field processes, attosecond dynamics, and electron spectroscopy

Cutting Edge Research

Learn More

Research Focus

We use real-time electronic structure methods, typically real-time time-dependent density functional theory (RT-TDDFT). RT-TDDFT is a density-functional-based approach to electronic excited states which solves the time-dependent Kohn-Sham equations by propagating the wavefunction or density matrix in real-time.

Although it shares many of the limitations of traditional linear-response TDDFT, RT-TDDFT yields a full time-resolved, potentially non-linear solution. Real-time simulations can be used to compute not only spectroscopic properties (e.g., absorption spectra, polarizabilites, etc), but also the time and space-resolved electronic response to arbitrary external stimuli (e.g., electron charge dynamics after laser excitation).

Recent Publications


A multiscale hybrid quantum/classical approach using classical electrodynamics and a collection of discrete three-level quantum systems is used to simulate the coupled dynamics and spectra of a malachite green monolayer adsorbed to the surface of a spherical gold nanoparticle (NP).

Read more

Selected Publications


A method for accelerating the computation of UV–visible and X-ray absorption spectra in large molecular systems using real-time time-dependent density functional theory (TDDFT).

Read more
Contact Us