Related papers: Accurate Helium-Benzene Potential: from CCSD(T) to…
In the recent years we have performed various experiments on the collision dynamics of highly porous dust aggregates and although we now have a comprehensive picture of the micromechanics of those aggregates, the macroscopic understanding…
We show that chemically-accurate potential energy surfaces (PESs) can be generated from quantum computers by measuring only the density along an adiabatic transition between different molecular geometries. In lieu of using phase estimation,…
The BESS model is the Higgsless alternative to the standard model of electroweak interaction with nonlinear realized spontaneous symmetry breaking. Since it is non-renormalizable new couplings (not existing in the SM) are induced at each…
Jet quenching in heavy-ion collisions probes parton energy loss in the quark--gluon plasma (QGP), but the extracted transport properties may not be universally constrained across centrality, beam energy, and observable class. In this work,…
Obtaining sub-chemical accuracy (1 kJ mol${}^{-1}$) for reaction energies of medium-sized gas-phase molecules is a longstanding challenge in the field of thermochemical modeling. The perturbative triples correction to CCSD, CCSD(T),…
Simulation of materials at the atomistic level is an important tool in studying microscopic structure and processes. The atomic interactions necessary for the simulation are correctly described by Quantum Mechanics. However, the…
In this study, we present the bicubic Hermite element method (BHEM), a new computational framework devised for the elastodynamic simulation of parametric thin-shell structures. The BHEM is constructed based on parametric quadrilateral…
The Bose-Einstein condensation (BEC) temperature $T_{c}$ of Cooper pairs (CPs) created from a very general interfermion interaction is determined for a {\it linear}, as well as the usual quadratic, energy {\it vs}% center-of-mass momentum…
In this work, we present a parallel, fully-distributed finite element numerical framework to simulate the low-frequency electromagnetic response of superconducting devices, which allows to efficiently exploit HPC platforms. We select the…
In this paper we develop a gapless theory of BEC which can be applied to both trapped and homogeneous gases at zero and finite temperature. The many-body Hamiltonian for the system is written in a form which is approximately quadratic with…
In ultra-relativistic heavy-ion collisions at $\sqrt{s_{NN}}$ = 5.5 TeV at the ALICE experiment at the LHC, interactions between the high-$p_{T}$ partons and the hot, dense medium produced in the collisions, are expected to lead to jet…
In this paper, we consider the capabilities of the Boltzmann equation with the Shakhov and ellipsoidal models for the collision term to capture the characteristics of rarefied gas flows. The benchmark is performed by comparing the results…
We present perturbative quantum chromodynamics (pQCD) predictions for the modification to the yield of high-momentum particles in very light ion collisions - ${}^{10}\mathrm{B} + {}^{10}\mathrm{B}$, ${}^{6}\mathrm{Li} + {}^{6}\mathrm{Li}$,…
We present a new method for calculating the temperature profile in high explosive (HE) material using a Convolutional Neural Network (CNN). To train/test the CNN, we have developed a hybrid experiment/simulation method for collecting…
Through the last three decades, accurate simulation of the interactions of particles with matter and modeling of detector geometries has proven to be of critical importance to the success of the international high-energy physics (HEP)…
The Bethe-Salpeter Equation (BSE) can be applied to compute from first-principles optical spectra that include the effects of screened electron-hole interactions. As input, BSE calculations require single-particle states, quasiparticle…
Widespread adoption of high-temperature polymer electrolyte membrane fuel cells (HT-PEMFCs) and HT-PEM electrochemical hydrogen pumps (HT-PEM ECHPs) requires models and computational tools that provide accurate scale-up and optimization.…
Globally accurate full-dimensional ground state potential energy surface (PES) for the Cl($^2$P) + XCl $\to$ HCl + Cl($^2$P) reaction, a prototypical heavy-light-heavy abstract reaction, is developed using permutation invariant polynomial…
Identifying dynamical system (DS) is a vital task in science and engineering. Traditional methods require numerous calls to the DS solver, rendering likelihood-based or least-squares inference frameworks impractical. For efficient parameter…
We have calculated the three-dimensional potential energy surface (PES) for the fission of compound nucleus $^{236}$U using the covariant density functional theory with constraints on the axial quadrupole and octupole deformations…