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We give an algorithmic and lower-bound framework that facilitates the construction of subexponential algorithms and matching conditional complexity bounds. It can be applied to intersection graphs of similarly-sized fat objects, yielding…
We describe a software package, TomOpt, developed to optimise the geometrical layout and specifications of detectors designed for tomography by scattering of cosmic-ray muons. The software exploits differentiable programming for the…
The integration of machine learning techniques with triboelectric nanogenerators (TENGs) offers a transformative pathway for optimizing energy harvesting technologies. In this study, we propose a comprehensive framework that utilizes graph…
The properties of hydrogen at warm dense matter (WDM) conditions are of high importance for the understanding of astrophysical objects and technological applications such as inertial confinement fusion. In this work, we present extensive…
Forecasting the degradation of coated materials has long been a topic of critical interest in engineering, as it has enormous implications for both system maintenance and sustainable material use. Material degradation is affected by many…
The virtual (i.e., fundamental many body quantum theory-based, computational) synthesis method is used to establish electronic templates of about 30 non-stoichiometric nanosystems composed of nickel and oxygen atoms and ranging from about 6…
Materials synthesis optimization is constrained by serial feedback processes that rely on manual tools and intuition across multiple siloed modes of characterization. We automate and generalize feature extraction of reflection high-energy…
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic…
Efficiently handling time-triggered and possibly nondeterministic switches for hybrid systems reachability is a challenging task. In this paper we present an approach based on conservative set-based enclosure of the dynamics that can handle…
Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due…
Since electrons in a ballistic regime perceive a carbon nanotube or a graphene layer structure as a continuous medium, we can use the study of the quantum dynamics of one electron constrained to a curve or surface to obtain a qualitative…
We provide a theoretical framework to describe the dynamics of a free-electron beam interacting with quantized bound systems in arbitrary electromagnetic environments. This expands the quantum optics toolbox to incorporate free-electron…
Nanostructuring of graphene is in part motivated by the requirement to open a gap in the electronic band structure. In particular, a periodically perforated graphene sheet in the form of an antidot lattice may have such a gap. Such systems…
We present a computer framework to store and evaluate likelihoods coming from High Energy Physics experiments. Due to its flexibility it can be interfaced with existing fitting codes and allows to uniform the interpretation of the…
Silicon quantum computing has the potential to revolutionize technology with capabilities to solve real-life problems that are computationally complex or even intractable for modern computers [1] by offering sufficient high quality qubits…
We theoretically analyse the possibility to electrostatically confine electrons in circular quantum dot arrays, impressed on contacted graphene nanoribbons by top gates. Utilising exact numerical techniques, we compute the scattering…
The short diffusion lengths in insertion battery nanoparticles render the capacitive behavior of bounded diffusion, which is rarely observable with conventional larger particles, now accessible to impedance measurements. Coupled with…
Predicting the spatial configuration of gas molecules in nanopores of shale formations is crucial for fluid flow forecasting and hydrocarbon reserves estimation. The key challenge in these tight formations is that the majority of the pore…
High-harmonic generation (HHG) in condensed-matter systems is both a source of fundamental insight into quantum electron motion and a promising candidate to realize compact ultraviolet and ultrafast light sources. Here we argue that the…
A coupled hybridizable discontinuous Galerkin (HDG) and boundary integral (BI) method is proposed to efficiently analyze electromagnetic scattering from inhomogeneous/composite objects. The coupling between the HDG and the BI equations is…