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Due to their rich level structure, molecules are well-suited for probing time variation of fundamental constants, precisely measuring parity violation and time-reversal non-invariance effects, studying quantum mechanical aspects of chemical…

The constraint of time-integrated zero-area on the laser field is a fundamental, both theoretical and experimental requirement in the control of molecular dynamics. By using techniques of local and optimal control theory, we show how to…

The appealing feature of molecular electronics is the possibility of exploiting functionality built within a single molecule. This functionality can be employed, for example, for sensing or switching purposes. Thus, ideally, the associated…

The degree of entanglement of an electron with a hole in a vertically coupled self-assembled dot molecule is shown to be tunable by an external electric field. Using atomistic pseudopotential calculations followed by a configuration…

Machine learning encompasses a set of tools and algorithms which are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as well, where machine learning offers promises of extracting…

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

Molecular quantum chemistry has seen enormous progress in the last few decades thanks to the more advanced and sophisticated numerical techniques and computing power. Following the recent interest in extending these capabilities to…

We have developed and experimentally demonstrated an improved electrostatic deflector for the spatial separation of molecules according to their dipole-moment-to-mass ratio. The device features a very open structure that allows for…

We present a new platform facilitating quantum logic control of polar molecular ions in a segmented ring ion trap, paving the way for precision measurements. This approach focuses on achieving near-unity state preparation and detection, as…

We describe a new class of experiments designed to probe the foundations of quantum mechanics. Using quantum controlling devices, we show how to attain a freedom in temporal ordering of the control and detection of various phenomena. We…

The distances over which biological molecules and their complexes can function range from a few nanometres, in the case of folded structures, to millimetres, for example during chromosome organization. Describing phenomena that cover such…

We discuss techniques to tune and shape the long-range part of the interaction potentials in quantum gases of polar molecules by dressing rotational excitations with static and microwave fields. This provides a novel tool towards…

We study quantum control of the full hyperfine manifold in the ground-electronic state of alkali atoms based on applied radio frequency and microwave fields. Such interactions should allow essentially decoherence-free dynamics and the…

The rates of activated processes, such as escape from a metastable state and nucleation, are exponentially sensitive to an externally applied field. We describe how this applies to modulation by high-frequency fields and illustrate it with…

Structured decompositions of a desired unitary operator are employed to derive control schemes that achieve certain control objectives for finite-level quantum systems using only sequences of simple control pulses such as square waves with…

Theoretical concepts in condensed matter physics are typically verified and also developed by exploiting computer simulations mostly in simple models. Predictions based on these usually isotropic models are often at odds with measurement…

A review is given of phase properties in molecular wave functions, composed of a number of (and, at least, two) electronic states that become degenerate at some nearby values of the nuclear configuration. Apart from discussing phases and…

Surfaces are at the frontier of every known solid. They provide versatile supports for functional nanostructures and mediate essential physicochemical processes. Being intimately related with 2D materials, interfaces and atomically thin…

Quantum-logic techniques used to manipulate quantum systems are now increasingly being applied to molecules. Previous experiments on single trapped diatomic species have enabled state detection with excellent fidelities and highly precise…

We discuss a novel approach to quantum information processing with molecules based on molecular degrees of freedom which are isolated from the environment as well as from the rest of the molecule. Such a degree of freedom can provide…