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The active control of electromagnetically induced transparency (EIT) metamaterials (MM) has the potential to revolutionize communication networks without relying on quantum technology. However, current reconfigurable systems offer limited…
Quantum entanglement is an essential ingredient for the absolute security of quantum communication. Generation of continuous-variable entanglement or two-mode squeezing between light fields based on the effect of electromagnetically induced…
Model-based clustering approaches concern the paradigm of exploratory data analysis relying on the finite mixture model to automatically find a latent structure governing observed data. They are one of the most popular and successful…
Electron density prediction stands as a cornerstone challenge in molecular systems, pivotal for various applications such as understanding molecular interactions and conducting precise quantum mechanical calculations. However, the scaling…
Electrical impedance tomography (EIT) is a noninvasive medical imaging modality utilizing the current-density/voltage data measured on the surface of the subject. Calder\'on's method is a relatively recent EIT imaging algorithm that is…
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…
Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…
The combination of deep learning and ab initio materials calculations is emerging as a trending frontier of materials science research, with deep-learning density functional theory (DFT) electronic structure being particularly promising. In…
Three-dimensional electrical capacitance tomography (3D-ECT) has shown promise for visualizing industrial multiphase flows. However, existing 3D-ECT approaches suffer from limited imaging resolution and lack assessment metrics, hampering…
The work presents elecode, open-source software for various electrical engineering applications that require considering electromagnetic processes. The primary focus of the software is power engineering applications. However, the software…
The tight binding model is a minimal electronic structure model for molecular modelling and simulation. We show that the total energy in this model can be decomposed into site energies, that is, into contributions from each atomic site…
Computing systems rarely deliver best possible performance due to ever increasing hardware and software complexity and limitations of the current optimization technology. Additional code and architecture optimizations are often required to…
Electrical impedance tomography (EIT) is a non-invasive functional imaging technology. In order to enhance the quality of lung EIT images, novel algorithms, namely LSTM-LSTM, LSTM-BiLSTM, BiLSTM-LSTM, and BiLSTM-BiLSTM, leveraging LSTM or…
Adiabatic mixed quantum/classical molecular dynamics simulations were used to generate snapshots of the hydrated electron (e-) in liquid water at 300 K. Water cluster anions that include two complete solvation shells centered on the e- were…
The electronic structure of a material fundamentally determines its underlying physical, and by extension, its functional properties. Consequently, the ability to identify or generate materials with desired electronic properties would…
The aim of the present contribution is to provide a framework for analyzing and visualizing the correlated many-electron dynamics of molecular systems, where an explicitly time-dependent electronic wave packet is represented as a linear…
In this paper, a new structure is proposed which is expected to realize dual-band electromagnetically induced transparency (EIT)-like effect in terahertz spectrum. It can be regarded as a metamaterial of grating-like elements composed of…
Cryo-electron tomography (cryo-ET) enables in situ visualization of macromolecular structures, where subtomogram analysis tasks such as classification, alignment, and averaging are critical for structural determination. However, effective…
Clinicians are interested in better understanding complex diseases, such as cancer or rare diseases, so they need to produce and exchange data to mutualize sources and join forces. To do so and ensure privacy, a natural way consists in…
Undergraduate programs in science and engineering include at least one course in basic programming, but seldom presented in a contextualized format, where computing is a tool for thinking and learning in the discipline. We have created a…