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This article presents an educational proposal based on the computational implementation of a model of interaction between particles of different types, as a tool for the development of STEM (Science, Technology, Engineering, and…
A numerical simulation algorithm for lattice QCD is described, in which the short- and long-distance effects of the sea quarks are treated separately. The algorithm can be regarded, to some extent, as an implementation at the quantum level…
While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum…
The Lattice Boltzmann method (LBM) is a well-established mesoscopic approach for simulating fluid dynamics by evolving particle distribution functions on discrete lattices. While the LBM is highly parallelizable on classical hardware, its…
We describe new techniques in the construction of optical lattices to realize a coherent atom-based microscope, comprised of two atomic species used as target and probe atoms, each in an independently controlled optical lattice. Precise and…
Molecular dynamics simulations are used to study structure formation in simple model polymer chains that are subject to excluded volume and torsional interactions. The changing conformations exhibited by chains of different lengths under…
Direct design of complex functional materials would revolutionize technologies ranging from printable organs to novel clean energy devices. However, even incremental steps towards designing functional materials have proven challenging. If…
We study nuclear and neutron matter by combining chiral effective field theory with non-perturbative lattice methods. In our approach nucleons and pions are treated as point particles on a lattice. This allows us to probe larger volumes,…
Accurate modelling of electrostatic interactions and charge transfer is fundamental to computational chemistry, yet most machine learning interatomic potentials (MLIPs) rely on local atomic descriptors that cannot capture long-range…
Complex plasmas are low-temperature plasmas that contain micrometer-size particles in addition to the neutral gas particles and the ions and electrons that make up the plasma. The microparticles interact strongly and display a wealth of…
Interacting particle systems play a key role in science and engineering. Access to the governing particle interaction law is fundamental for a complete understanding of such systems. However, the inherent system complexity keeps the…
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…
We develop a model describing long-range atom-atom interactions in a two-dimensional periodic or a-periodic lattice of optical centers considering spectral and spatial broadening effects. Using both analytical and numerical Green's function…
The Hubbard model is a paradigmatic model of strongly correlated quantum matter, thus making it desirable to investigate with quantum simulators such as ultracold atomic gases. Here, we consider the problem of two atoms interacting in a…
We present a derivation that maps the original problem of a many body open quantum system (OQS) coupled to a harmonic oscillator reservoir into that of a many body OQS coupled to a lattice of harmonic oscillators. The present method is…
Studying chemical reactions, particularly in the gas phase, relies heavily on computing scattering matrix elements. These elements are essential for characterizing molecular reactions and accurately determining reaction probabilities.…
A novel lattice approach is presented for studying systems comprising a large number of interacting nonrelativistic fermions. The construction is ideally suited for numerical study of fermions near unitarity--a strongly coupled regime…
The most difficult aspect of the realistic modeling of granular materials is how to capture the real shape of the particles. Here we present a method to simulate granular materials with complex-shaped particles. The particle shape is…
In this paper, we propose a new algorithm based on radial symmetry center method to track colloidal particles close to contact, where the optical images of the particles start to overlap in digital video microscopy. This overlapping effect…
Molecular crystals play a central role in a wide range of scientific fields, including pharmaceuticals and organic semiconductor devices. However, they are challenging systems to model accurately with computational approaches because of a…