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Energy redistribution after a chemical reaction is one of the few mechanisms to explain the diffusion and desorption of molecules which require more energy than the thermal energy available in quiescent molecular clouds (10 K). This energy…
We introduce a comprehensive framework for the detection and demodulation of covert electromagnetic signals using solid-state spin sensors. Our approach, named RAPID, is a two-stage hybrid strategy that leverages nitrogen-vacancy (NV)…
An important ingredient for applications of nuclear physics to e.g. astrophysics or nuclear energy are the cross sections for reactions of neutrons with rare isotopes. Since direct measurements are often not possible, indirect methods like…
The evaluation of electrostatic energy for a set of point charges in a periodic lattice is a computationally expensive part of molecular dynamics simulations (and other applications) because of the long-range nature of the Coulomb…
Implementing precise operations on quantum systems is one of the biggest challenges for building quantum devices in a noisy environment. Dynamical decoupling (DD) attenuates the destructive effect of the environmental noise, but so far it…
Chemical reaction networks (CRNs) are directed graphs with reactant or product complexes as vertices, and reactions as arcs. A CRN is weakly reversible if each of its connected components is strongly connected. Weakly reversible networks…
The application of surface plasmon resonance (SPR) has transformed the field of study of interactions between a ligand immobilized on the surface of a sensor chip, designated as $L_S$, and an analyte in solution, referred to as $A$. This…
We present a new tensor network algorithm for calculating the partition function of interacting quantum field theories in 2 dimensions. It is based on the Tensor Renormalization Group (TRG) protocol, adapted to operate entirely at the level…
The use of multilevel quantum information carriers, also known as qudits, attracts a significant deal of interest as a way for further scalability of quantum computing devices. However, a nontrivial task is to experimentally achieve a gain…
Partial Information Decomposition (PID) is a principled and flexible method to unveil complex high-order interactions in multi-unit network systems. Though being defined exclusively for random variables, PID is ubiquitously applied to…
Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…
The discrimination of coherent states is a crucial component in quantum communication with continuous variables, especially in quantum key distribution protocols (CV-QKD), which rely on the ability to distinguish among different coherent…
Ring polymer molecular dynamics (RPMD) has proven to be an accurate approach for calculating thermal rate coefficients of various chemical reactions. For wider application of this methodology, efficient ways to generate the underlying…
The theoretical approach developed here treats uniformly the direct and indirect mechanisms of dissociative recombination (DR) in a diatomic ion. The present theory is based on electron scattering calculations performed at several…
Atomic nuclei are complex, quantum many-body systems whose structure manifests itself through intrinsic quantum states associated with different excitation modes or degrees of freedom. Collective modes (vibration and/or rotation) dominate…
The distribution and processing of quantum entanglement form the basis of quantum communication and quantum computing. The realization of the two is difficult because quantum information inherently has a high susceptibility to decoherence,…
The "CO adsorption puzzle", a persistent failure of utilizing generalized gradient approximations (GGA) in density functional theory to replicate CO's experimental preference for top-site adsorption on transition-metal surfaces, remains a…
Irreversible random sequential deposition of interacting particles is widely used to model aggregation phenomena in physical, chemical, and biophysical systems. We show that in one dimension the exact time dependent solution of such…
Reactive and elastic cross-sections, and rate coefficients, have been calculated for the S(1D)+ D2 (v=0, j=0) reaction using a modified hyperspherical quantum reactive scattering method. The considered collision energy ranges from the…
We analyze and compare different methods for handling the mutual coupling in RIS-aided communication systems. A new mutual coupling aware algorithm is derived where the reactance of each element is updated successively with a closed-form…