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Quantum-mechanical methods are widely used for understanding molecular interactions throughout biology, chemistry, and materials science. Quantum diffusion Monte Carlo (DMC) and coupled cluster with single, double, and perturbative triple…
The ability to probe a materials electromechanical functionality on the nanoscale is critical to applications from energy storage and computing to biology and medicine. Voltage modulated atomic force microscopy (VM-AFM) has become a…
Widefield quantum diamond microscopy is a powerful technique for imaging magnetic fields with high sensitivity and spatial resolution. However, current methods to approach the ultimate spatial resolution ($<500\,$nm) are impractical for…
Colloidal quantum dots (cQDs) recently emerged as building blocks for semiconductor materials with tuneable properties. Electro-hydrodynamic printing can be used to obtain sub-micrometre patterns of cQDs without elaborate and aggressive…
Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…
Machine learning approaches in drug discovery, as well as in other areas of the chemical sciences, benefit from curated datasets of physical molecular properties. However, there is a lack of sufficiently large data collections that include…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
Diamond nanoparticles (nanodiamonds) can transport active drugs in cultured cells as well as in vivo. However, in the latter case, methods allowing to determine their bioavailability accurately are still lacking. Nanodiamond can be made…
Label-free biosensors, including conventional quartz-crystal-microbalance (QCM) biosensor, are seriously affected by nonspecific adsorption of contaminants involved in analyte solution, and it is exceptionally difficult to extract the…
Routine investigations of plasmonic phenomena at the quantum level present a formidable computational challenge due to the large system sizes and ultrafast timescales involved. This Feature Article highlights the use of density functional…
Contractile forces exerted on the surrounding extracellular matrix (ECM) lead to the alignment and stretching of constituent fibers within the vicinity of cells. As a consequence, the matrix reorganizes to form thick bundles of aligned…
A realization of the force-induced remnant magnetization spectroscopy (FIRMS) technique of specific biomolecular binding is presented where detection is accomplished with wide-field optical and diamond-based magnetometry using an ensemble…
Quantum Extreme Learning Machine (QELM) is an emerging hybrid quantum machine learning framework that leverages quantum system dynamics to enhance classical models. However, QELM can suffer from the exponential concentration problem, where…
AC susceptometry, unlike static susceptometry, offers a deeper insight into magnetic materials. By employing AC susceptibility measurements, one can glean into crucial details regarding magnetic dynamics. Nevertheless, traditional AC…
Deep neural networks (DNNs) have been used to successfully predict molecular properties calculated based on the Kohn--Sham density functional theory (KS-DFT). Although this prediction is fast and accurate, we believe that a DNN model for…
Diamond quantum sensors offer high precision and spatial resolution as magnetic probes, making them promising for a wide range of applications. While diamond anvil cells (DACs) can generate extremely high pressures, techniques for…
Quantum-mechanically-driven charge polarization and charge transfer are ubiquitous in biomolecular systems, controlling reaction rates, allosteric interactions, ligand-protein binding, membrane transport, and dynamically-driven structural…
The confluence of quantum physics and biology is driving a new generation of quantum-based sensing and imaging technology capable of harnessing the power of quantum effects to provide tools to understand the fundamental processes of life.…
The invention of scanning probe microscopy has revolutionized the way electronic phenomena are visualized. While present-day probes can access a variety of electronic properties at a single location in space, a scanning microscope that can…
Quantum sensing techniques have been successful in pushing the sensitivity limits in numerous fields, and hold great promise for scanning probes that study nano-scale devices and novel materials. However, forming a nano-scale qubit that is…