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The JETSCAPE simulation framework is an overarching computational envelope for developing complete event generators for heavy-ion collisions. It allows for modular incorporation of a wide variety of existing and future software that…
Heavy-ion collision physics has entered the high precision era, demanding theoretical models capable of generating huge statistics to compare with experimental data. However, traditional hybrid models, which combine hydrodynamics and…
A hybrid transport approach for the bulk evolution of viscous QCD matter produced in ultra-relativistic heavy-ion collisions is presented. The expansion of the dense deconfined phase of the reaction is modeled with viscous hydrodynamics…
A three-dimensional effective lattice theory of Polyakov loops is derived from QCD by expansions in the fundamental character of the gauge action, u, and the hopping parameter, \kappa, whose action is correct to \kappa^n u^m with n+m=4. At…
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…
With the aim of understanding the phase structure of nuclear matter created in high-energy nuclear collisions at finite baryon density, a beam energy scan program has been carried out at Relativistic Heavy Ion Collider (RHIC). In this…
A 1+1 dimensional hydrodynamical model in the light-cone coordinates is used to describe central heavy-ion collisions at ultrarelativistic bombarding energies. Deviations from Bjorken's scaling are taken into account by choosing finite-size…
The first collisions of lead nuclei, delivered by the CERN Large Hadron Collider (LHC) at the end of 2010, at a centre-of-mass energy per nucleon pair $\sqrt{s_{NN}}$ = 2.76 TeV, marked the beginning of a new era in ultra-relativistic…
We develop a framework of coupled transport equations for open heavy flavor and quarkonium states, in order to describe their transport inside the quark-gluon plasma. Our framework is capable of studying simultaneously both open and hidden…
We suggest to explore an entirely new method to experimentally and theoretically study the phase diagram of strongly interacting matter based on the triple nuclear collisions (TNC). We simulated the TNC using the UrQMD 3.4 model at the beam…
We construct a fast, transferable, general purpose, machine-learning interatomic potential suitable for large-scale simulations of $N_2$. The potential is trained only on high quality quantum chemical molecule-molecule interactions, no…
A four-way coupling scheme for the direct numerical simulation of particle-laden flows is developed and analyzed. It employs a novel adaptive multi-relaxation time lattice Boltzmann method to simulate the fluid phase efficiently. The…
With the explosion of data on jet based observables in relativistic heavy-ion collisions at the Large Hadron Collider and the Relativistic Heavy-Ion Collider, perturbative QCD based simulations of these processes, often interacting with an…
In high-energy heavy-ion collisions, propagation of the energy deposited into the medium by energetic partons that traverse the quark-gluon plasma (QGP) leads to Mach-cone-like jet-induced medium response. Full simulations of such…
Buoyancy-induced (Rayleigh-Benard) convection of a fluid between two horizontal plates is a central paradigm for studying the transition to complex spatiotemporal dynamics in sustained nonequilibrium systems. To improve the analysis of…
Hydrodynamic calculations of ultra-relativistic heavy ion collisions are performed using the iEBE-VISHNU 2+1D code with fluctuating initial conditions and three different parameterizations of the Lattice QCD equations of state: continuum…
Accurately describing strongly correlated electronic systems remains a central challenge in quantum chemistry, as electron-electron interactions give rise to complex many-body wavefunctions that are difficult to capture with conventional…
We propose a framework for simulating the real-time dynamics of quantum field theories (QFTs) using continuous-variable quantum computing (CVQC). Focusing on ($1+1$)-dimensional $\varphi^4$ scalar field theory, the approach employs the…
A simultaneous description of hadronic yields; pion, kaon, and proton spectra; elliptic flows; and femtoscopy scales in the hydrokinetic model of A+A collisions is presented at different centralities for the top BNL Relativistic Heavy Ion…
Dynamical models based on relativistic fluid dynamics provide a powerful tool to extract the properties of the strongly-coupled quark-gluon plasma (QGP) produced by ultrarelativistic nuclear collisions. The largest source of uncertainty in…