The coherent exchange of energy between materials and optical fields leads to strong light–
matter interactions and so-called polaritonic states with intriguing properties, halfway …

Since the discovery of electron-wave duality, electron scattering instrumentation has
developed into a powerful array of techniques for revealing the atomic structure of matter …

TeraChem was born in 2008 with the goal of providing fast on‐the‐fly electronic structure
calculations to facilitate ab initio molecular dynamics studies of large biochemical systems …

Following structural dynamics in real time is a fundamental goal towards a better
understanding of chemical reactions. Recording snapshots of individual molecules with …

We show that attosecond core-level spectroscopy is a powerful tool for investigating
molecular dynamics due to its combined attosecond temporal resolution and the broad …

Developed over the past decade, TeraChem is an electronic structure and ab initio
molecular dynamics software package designed from the ground up to leverage graphics …

Simultaneous observation of nuclear and electronic motion is crucial for a complete
understanding of molecular dynamics in excited electronic states. It is challenging for a …

We propose and demonstrate a novel scheme to produce ultrashort and ultrastable MeV
electron beam. In this scheme, the electron beam produced in a photocathode radio …

We introduce an interface between PySpawn, a simulation package to run ab initio multiple
spawning (AIMS) nonadiabatic dynamics, and OpenMolcas, a software package to perform …

Multireference electron correlation methods describe static and dynamical electron
correlation in a balanced way and, therefore, can yield accurate and predictive results even …