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The force field describing the calculated interaction between atoms or molecules is the key to the accuracy of many molecular dynamics (MD) simulation results. Compared with traditional or semi-empirical force fields, machine learning force…
Clustering and dynamics of nano-sized particles (nano dust) is investigated using high-resolution ($1024^3$) simulations of compressible isothermal hydrodynamic turbulence, intended to mimic the conditions inside cold molecular clouds in…
A theoretical approach was developed to describe secondary particle emission in heavy ion collisions, with special regards to pre-equilibrium {\alpha}-particle production. Griffin's model of non-equilibrium processes is used to account for…
At very high energies, weak coupling, non-perturbative methods can be used to study classical gluon production in nuclear collisions. One observes in numerical simulations that after an initial ``formation'' time, the produced partons are…
We have performed a set of high resolution, three dimensional simulations of a jetted AGN embedded in a relaxed cooling cluster. To the best of our knowledge, these are the first simulation to include both full jet dynamics and a feedback…
We estimate the probability that a hard nucleon-nucleon collision is able to nucleate a seed of quark--gluon plasma in the surrounding hot and dense hadronic matter formed during a central collision of two large nuclei at AGS energies. The…
Proton transfer rates and mechanisms are studied in mesoscopic, liquid-state, molecular clusters. The proton transfer occurs in a proton-ion complex solvated by polar molecules comprising the cluster environment. The rates and mechanisms of…
We simulate clustering, phase separation and hexatic ordering in a monolayered suspension of active squirming disks subject to an attractive Lennard-Jones-like pairwise interaction potential, taking hydrodynamic interactions between the…
A phase transformation in a metastable phase can be affected when it is subjected to a high intensity ultrasound wave. In this study we determined the effect of oscillation in pressure and temperature on a phase transformation using the…
The charge and proton dynamics in hydrogen-bonded networks are investigated using ammonia as a model system. The fragmentation dynamics of medium-sized clusters (1-2 nm) upon single photon multi-ionization is studied, by analyzing the…
The appearance of nuclear clusters in stellar matter at densities below nuclear saturation is an important feature in the modeling of the equation of state for astrophysical applications. There are different theoretical concepts to describe…
Despite numerous efforts from numerical approaches to complement experimental measurements, several fundamental challenges have still hindered one's ability to truly provide an atomistic picture of the nucleation process in nanocrystals.…
We simulate the collision of atomic clusters with a weakly attractive surface using molecular dynamics in a regime between soft-landing and fragmentation, where the cluster undergoes large deformation but remains intact. As a function of…
We investigate the basic thermal, mechanical and structural properties of body centred cubic iron ($\alpha$-Fe) at several temperatures and positive loading by means of Molecular Dynamics simulations in conjunction with the embedded-atom…
We perform three-dimensional radiation hydrodynamic simulations of uniform dusty gas clouds irradiated by an active galactic nucleus (AGN) to investigate the dependence of evolution of clouds on the ionization parameter $\mathcal{U}$ and…
The formation and entrapment of gas bubbles during solidification significantly influence the microstructure and mechanical properties of materials, from metallic alloys to ice. While gas segregation at the solidification front is…
The AWAKE experiment relies on the self-modulation instability of a long proton bunch to effectively drive wakefields and accelerate an electron bunch to GeV-level energies. During the first experimental run (2016-2018) the instability was…
X-ray observations of clusters of galaxies reveal the presence of edges in surface brightness and temperature, known as "cold fronts". In relaxed clusters with cool cores, these commonly observed edges have been interpreted as evidence for…
We performed molecular dynamics (MD) simulations of the nucleation of water vapor in order to test nucleation theories. Simulations were performed for a wide range of supersaturation ratios (S = 3-25) and water temperatures (Tw=300-390K).…
We review progress in numerical simulations of star cluster formation. These simulations involve the bottom-up assembly of clusters through hierarchical mergers, which produces a fractal stellar distribution at young (~0.5 Myr) ages. The…