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Exact diagonalization techniques are a powerful method for studying many-body problems. Here, we apply this method to systems of few bosons in an optical lattice, and use it to demonstrate the emergence of interesting quantum phenomena like…
We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is…
A fundamental step in the rational design of vascular targeted particles is the firm adhesion at the blood vessel walls. Here, a combined Lattice Boltzmann Immersed Boundary model is presented for predicting the near wall dynamics of…
Fictitious identical particle thermodynamics has emerged as a powerful tool to overcome the fermion sign problem, enabling highly accurate simulations of one thousand fermions in warm dense matter (T. Dornheim et al., J. Phys. Chem. Lett.…
We discuss the Lattice Boltzmann-Particle Dynamics (LBPD) multiscale paradigm for the simulation of complex states of flowing matter at the interface between Physics, Chemistry and Biology. In particular, we describe current large-scale…
The Path integral Quantum Control (PiQC) algorithm was recently introduced by Villanueva et al. (2025) as a new approach for computing optimal controls in open and closed quantum systems. Originally proposed for pulse-based quantum control,…
We propose a new binary classification model called Phase Separation Binary Classifier (PSBC). It consists of a discretization of a nonlinear reaction-diffusion equation coupled with an Ordinary Differential Equation, and is inspired by…
Bosonic condensates offer exciting prospects for studies of non-equilibrium quantum dynamics. Understanding the dynamics is particularly challenging in the sub-picosecond timescales typical for room temperature luminous driven-dissipative…
Ultracold Bose gases in one-dimensional optical lattices constitute an important benchmark problem in the study of strongly interacting many-body quantum phases. Here we present a combined experimental and theoretical study of their…
The uniform electron gas (UEG) at finite temperature is of high current interest due to its key relevance for many applications including dense plasmas and laser excited solids. In particular, density functional theory heavily relies on…
Path integral quantum Monte Carlo (PIMC) is a method for estimating thermal equilibrium properties of stoquastic quantum spin systems by sampling from a classical Gibbs distribution using Markov chain Monte Carlo. The PIMC method has been…
Motivated by the recent rapid development of the field of quantum gases in optical lattices, we present a comprehensive study of the spectrum of ultracold atoms in a one-dimensional optical lattice subjected to a periodic lattice…
The Particle-In-Cell (PIC) method for plasma simulation tracks particle phase space information using particle and grid data structures. High computational costs in 2D and 3D device-scale PIC simulations necessitate parallelization, with…
Ever since the first observation of Bose-Einstein condensation in the nineties, ultracold quantum gases have been the subject of intense research, providing a unique tool to understand the behavior of matter governed by the laws of quantum…
Periodically driven quantum systems can realize novel phases of matter that are not present in time-independent Hamiltonians. One important application is the engineering of synthetic gauge fields, which opens the realm of topological…
We formulate a path-integral Monte Carlo algorithm for simulating lattice systems consisting of fictitious particles governed by a generalized exchange statistics. This method, initially proposed for continuum systems, introduces a…
The boom of semiconductor quantum computing platforms created a demand for computer-aided design and fabrication of quantum devices. Path integral Monte Carlo (PIMC) can have an important role in this effort because it intrinsically…
A periodic structure sandwiched between two homogeneous media can support bound states in the continuum (BICs) that are valuable for many applications. It is known that generic BICs in periodic structures with an up-down mirror symmetry and…
Particle methods are a ubiquitous tool for solving the Vlasov-Poisson equation in comoving coordinates, which is used to model the gravitational evolution of dark matter in an expanding universe. However, these methods are known to produce…
Electromagnetic particle-in-cell (PIC) codes are widely used to perform computer simulations of a variety of physical systems, including fusion plasmas, astrophysical plasmas, plasma wakefield particle accelerators, and secondary photon…