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We consider quantum critical points (QCP) in which quantum fluctuations associated with charge rather than magnetic order induce unconventional metallic properties. Based on finite-T calculations on a two-dimensional extended Hubbard model…
The control of chemical reactions is a recurring theme in physics and chemistry. Traditionally, chemical reactions have been investigated by tuning thermodynamic parameters, such as temperature or pressure. More recently, physical methods…
One of the astounding consequences of quantum mechanics is that it allows the detection of a target using an incident probe, with only a low probability of interaction of the probe and the target. This 'quantum weirdness' could be applied…
The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…
When a single molecule is connected to external electrodes by linker groups, the connectivity of the linkers to the molecular core can be controlled to atomic precision by appropriate chemical synthesis. Recently, the connectivity…
The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property…
The relative orientation of colliding molecules plays a key role in determining the rates of chemical processes. Here we examine in detail a prototypical example: rotational quenching of HD in cold collisions with H2. We show that the…
Precision measurements of molecules offer an unparalleled paradigm to probe physics beyond the Standard Model. The rich internal structure within these molecules makes them exquisite sensors for detecting fundamental symmetry violations,…
The subtle and fundamental issue of indistinguishability and interference between independent pathways to the same target state is examined in the context of coherent control of atomic and molecular processes, with emphasis placed on…
Any physical quantum device for quantum information processing is subject to errors in implementation. In order to be reliable and efficient, quantum computers will need error correcting or error avoiding methods. Fault-tolerance achieved…
Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…
The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource…
We show through simulation that quantum interference in non-sequential double ionization can be used to control the recollision with subsequent ionization (RESI) mechanism. This includes the shape, localization and symmetry of RESI…
Attosecond science offers unprecedented precision in probing the initial moments of chemical reactions, revealing the dynamics of molecular electrons that shape reaction pathways. A fundamental question emerges: what role, if any, do…
Postulated by Pauli to explain the electronic structure of atoms and molecules, the exclusion principle establishes an upper bound of 1 for the fermionic natural occupation numbers $\{n_i\}$. A recent analysis of the pure…
Molecular electronics offers unique scientific and technological possibilities, resulting from both the nanometre scale of the devices and their reproducible chemical complexity. Two fundamental yet different effects, with no classical…
The quantum principle of relativity (QPR) puts forward an ambitious idea: extend special relativity with a formally superluminal branch of Lorentz-type maps, and treat the resulting consistency constraints as hints about why quantum theory…
Quantum machine learning (QML) is expected to offer new opportunities to process high-dimensional data efficiently by exploiting the exponentially large state space of quantum systems. In this work, we apply quantum extreme reservoir…
We study the following problem: Is it possible to explain the quantum interference of probabilities in the purely corpuscular model for elementary particles? We demonstrate that (by taking into account perturbation effects of measurement…
Quantum computing can be employed in computer-aided music composition to control various attributes of the music at different structural levels. This article describes the application of quantum simulation to model compositional decision…