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DL_POLY Quantum 2.1 is introduced here as a highly modular, sustainable, and scalable general-purpose molecular dynamics (MD) simulation software for large-scale long-time MD simulations of condensed phase and interfacial systems with the…
We introduce the Cyclic Variational Quantum Eigensolver (CVQE), a hardware-efficient framework for accurate ground-state quantum simulation on noisy intermediate-scale quantum (NISQ) devices. CVQE departs from conventional VQE by…
The formation of biomolecular materials via dynamical interfacial processes such as self-assembly and fusion, for diverse compositions and external conditions, can be efficiently probed using ensemble Molecular Dynamics. However, this…
Astrophysical fluid flow studies often encompass a wide range of physical processes to account for the complexity of the system under consideration. In addition to gravity, a proper treatment of thermodynamic processes via continuum…
An improved version of the Cascade-Exciton Model (CEM) of nuclear reactions realized in the code CEM2k and the Los Alamos version of the Quark-Gluon String Model (LAQGSM) have been developed recently at LANL to describe reactions induced by…
To probe both the Hydrodynamic Non-Equilibrium (HNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion process, a two-dimensional Multiple-Relaxation-Time (MRT) version of Lattice Boltzmann Kinetic Model(LBKM) for combustion…
Using a hybrid (viscous hydrodynamics + hadronic cascade) framework, we model the bulk dynamical evolution of relativistic heavy-ion collisions at Relativistic Heavy Ion Collider (RHIC) Beam Energy Scan (BES) collision energies, including…
A new model of jet quenching in nuclear collisions, CUJET3.0, is constructed by generalizing the perturbative QCD based CUJET2.0 model to include two complementary non-perturbative features of the QCD confinement cross-over phase transition…
Computational fluid dynamics is both a thriving research field and a key tool for advanced industry applications. The central challenge is to simulate turbulent flows in complex geometries, a compute-power intensive task due to the large…
It has been over a decade since the first experimental data from gold nuclei collisions at the Relativistic Heavy Ion Collider suggested hydrodynamic behavior. While early ideal hydrodynamical models were surprisingly accurate in their…
Ultrarelativistic heavy-ion collisions are considered ideal environments for exploring the QCD phase diagram and probing the properties of the QGP as functions of temperature and baryon chemical potential. At the highest energies, such as…
Fusion dynamics and the onset of quasi-fission in reactions, leading to production of superheavy nuclei are investigated using the constrained molecular dynamics model. Constraints on the parameters of the nuclear equation of state are…
In this paper, we propose a method for numerical modeling of the nuclear matter properties within the framework of relativistic heavy-ion collisions using a holographic equation of state. Machine learning methods were applied to address the…
We developed a general theoretical approach and a user-ready computer code that permit to study the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule-molecule collisions. The method is a mixture…
We utilize 3+1D stochastic hydrodynamics to study correlations and fluctuations of baryon charge in high-energy heavy-ion collisions. The baryon charge fluctuations are important observables to probe the QCD phase diagram, yet a dynamical…
Relativistic hydrodynamics is essential to our current understanding of nucleus-nucleus collisions at ultrarelativistic energies (current experiments at the Relativistic Heavy Ion Collider, forthcoming experiments at the CERN Large Hadron…
This is a review of the parton cascade model (PCM) which provides a QCD-based description of nucleus-nucleus reactions at very high energy. The PCM describes the collision dynamics within the early and dense phase of the reaction in terms…
Heavy-ion collision is an important tool to understand the dense nuclear matter properties. In order to understand the results of the heavy-ion collision experiments, both theoretical approaches to dense nuclear matter using effective…
We present a new framework to treat the dissipation and fluctuation dynamics associated with nucleon-nucleon scattering in heavy-ion collisions. The two-body collision processes are effectively described in terms of the diffusion of…
According to current evidence the water inventory of Earth (and perhaps similar exoplanets) was transported inwards via (giant) collisions during the chaotic final phase of planet formation. In dynamical simulations water delivery is still…