The physical sciences community is increasingly taking advantage of the possibilities
offered by modern data science to solve problems in experimental chemistry and potentially …

Advances in FEL technologies have contributed remarkably to various scientific fields over
the past decade, and ultrafast molecular dynamics is no exception. The ability to probe …

The splendid computational success of AlphaFold and RoseTTAFold in solving the 60-year-
old problem of protein folding raises an obvious question: what new avenues should …

Nonadiabatic dynamics around an avoided crossing or a conical intersection play a crucial
role in the photoinduced processes of most polyatomic molecules. The present work shows …

Elementary events that determine photochemical outcomes and molecular functionalities
happen on the femtosecond and subfemtosecond timescales. Among the most ubiquitous …

Proteins guide the flows of information, energy, and matter that make life possible by
accelerating transport and chemical reactions, by allosterically modulating these reactions …

For decades, researchers have elucidated essential enzymatic functions on the atomic
length scale by tracing atomic positions in real-time. Our work builds on possibilities …

After decades of diligent development at synchrotron light sources, the field of time-resolved
crystallography (TRX) is elevating to new heights. Driven by the appearance of X-ray free …

Conical Intersections (CIs), which are believed to be ubiquitous in molecular and biological
systems, open up ultrafast nonradiative decay channels. A superposition of electronic states …

Quantum coherences in electronic motions play a critical role in determining the pathways
and outcomes of virtually all photophysical and photochemical molecular processes …