Related papers: PyQCAMS: Python Quasi-Classical Atom-Molecule Scat…
We perform on-the-fly non-adiabatic molecular dynamics simulations using the symmetrical quasi-classical (SQC) approach with the recently suggested molecular Tully models: ethylene and fulvene. We attempt to provide benchmarks of the SQC…
The article of Pastore et al, while proposing an interesting and potentially useful approach for the generalisation of Quantum Monte Carlo techniques to the treatment of the nuclear electromagnetic response, features an incorrect and…
A pQCD-based model for parton production and equilibration in ultrarelativistic heavy-ion collisions is reviewed. The model combines pQCD processes including initial and final state radiations together with string phenomenology for…
In a recent study (Ref. [1]), quantum annealing was reported to exhibit a scaling advantage for approximately solving Quadratic Unconstrained Binary Optimization (QUBO). However, this claim critically depends on the choice of classical…
We present a new model of scattering a quantum particle on the potential step, which reconstructs the prehistory of the subensembles of transmitted and reflected particles by their final states. Unlike the conventional one this model…
We present a novel Python tool for the analysis of Geant4 simulations that enhances our understanding of coherent phenomena occurring during the interaction of charged particles with crystal planes. This tool compares the total energy of…
We discuss diphoton semi(exclusive) production in ultraperipheral lead-lead collisions at energy of $\sqrt{s_{NN}}$ = 5.5 TeV (LHC) and in proton-proton collisions at $\sqrt{s_{pp}}$ = 7 TeV (LHC) and $\sqrt{s_{pp}}$ = 100 TeV (FCC). The…
We introduce an algebra qCCS of pure quantum processes in which no classical data is involved, communications by moving quantum states physically are allowed, and computations is modeled by super-operators. An operational semantics of qCCS…
We report the results of quantum scattering calculations for the O($^3$P)+H$_2$ reaction for a range of collision energies from 0.4 to 4.4 eV, important for astrophysical and atmospheric processes. The total and state-to-state reactive…
We propose a new model suitable for a nonequilibrium molecular dynamics (MD) simulation of electrical conductors. The model consists of classical electrons and atoms. The atoms compose a lattice vibration system. The electrons are scattered…
Average-atom models are an important tool in studying matter under extreme conditions, such as those conditions experienced in planetary cores, brown and white dwarfs, and during inertial confinement fusion. In the right context,…
Particles traveling in aligned crystals at small angles w.r.t. crystallographic axes or planes are principally steered by the continuous Lindhard potential. This interaction conserves the energy E, the longitudinal momentum p_parallel, the…
Semi-quantum protocols construct connections between quantum users and ``classical'' users who can only perform certain ``classical'' operations. In this paper, we present a new semi-quantum private comparison protocol based on entangled…
A recent proposal (see quant-ph/9803068) to simulate semiclassical corrections to classical dynamics by suitable classical stochastic fluctuations is applied to the specific instance of charged beam dynamics in particle accelerators. The…
We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized Poisson Boltzmann equation, for molecules represented as non-overlapping spherical cavities.…
The recent theoretical and experimental activities in positronium (Ps) scattering by atoms and molecules are reviewed with special emphasis at low energies. We critically compare the results of different groups $-$ theoretical and…
Digital circuits based on residue number systems have been considered to produce a pseudo-random behavior. The present work is an initial step towards the complete implementation of those systems for similar applications using quantum…
We present a multichannel quantum-defect theory for slow atomic collisions that takes advantages of the analytic solutions for the long-range potential, and both the energy and the angular-momentum insensitivities of the short-range…
Proton-coupled electron transfer (PCET) is the key step for energy conversion in electrocatalysis. Atomic-scale simulation acts as an indispensable tool to provide a microscopic understanding of PCET. However, consideration of the quantum…
Understanding the interactions between atoms and light is at the heart of atomic physics. Being able to `experiment' with various system parameters, produce plots of the results and interpret these is very useful, especially for those new…