Electronically excited states of molecules are at the heart of photochemistry, photophysics,
as well as photobiology and also play a role in material science. Their theoretical description …

With the popularity of artificial intelligence (AI) and its integration into every field, it has
yielded positive results that have increased productivity and aided us in solving complex …

The field of artificial intelligence (AI) and machine learning (ML) has exploded over the past
decade, largely due to fundamental advances in deep learning algorithms and broad …

Understanding the spectrum of noise acting on a qubit can yield valuable information about
its environment, and crucially underpins the optimization of dynamical decoupling protocols …

Methods for electronic structure computations, such as density functional theory (DFT), are
routinely used for the calculation of spectroscopic parameters to establish and validate …

The identification of fundamental relationships between atomic configuration and electronic
structure typically requires experimental empiricism or systematic theoretical studies. Here …

Machine learning finds application in the quantum control and readout of qubits. In this work
we apply artificial neural networks to assist the manipulation and the readout of a …

Complexity of paramagnetic catalysts and materials increases, and the same applies to
systems targeted by integrative structural biology. Hence, EPR spectroscopists must find …

Chemistry underpins many areas of emerging science, such as materials chemistry,
chemical biology, medicinal chemistry, nanotechnology and physical chemistry. The …

A scientific research laboratory is the hub of ideas and birthplace of many technological
inventions. Underpinning many branches of science, chemistry as a subject has …