Related papers: An efficient numerical method for charged particle…
We introduce the Quantization Monte Carlo method to solve thermal radiative transport equations with possibly several collision regimes, ranging from few collisions to massive number of collisions per time unit. For each particle in a given…
Evaluating multi-center molecular integrals with Cartesian Gaussian-type basis sets has been a long-standing bottleneck in electronic structure theory calculation for solids and molecules. We have developed a vector-coupling and…
In the double-cone ignition (DCI) inertial confinement fusion scheme, head-on collision of high density plasma jets is one of the most distinguished feature when compared with other schemes. However, the application of traditional…
In this work, we present a high-fidelity and efficient point-particle direct numerical simulation framework based on a multi-block overset curvilinear grid system, enabling large-scale Lagrangian particle tracking in complex geometries with…
A method is presented which allows one to introduce collective coordinates self-consistently, in distinction to the Caldeira-Leggett model. It is demonstrated how the partition function Z for the total nuclear system can be calculated to…
We study the mobility of a charged colloidal particle in a constant homogeneous electric field by means of computer simulations. The simulation method combines a lattice Boltzmann scheme for the fluid with standard Langevin dynamics for the…
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging…
The application of deep learning techniques using convolutional neural networks to the classification of particle collisions in High Energy Physics is explored. An intuitive approach to transform physical variables, like momenta of…
In computational molecular science, calculation of electrostatic interactions involving charged atoms - the strongest interactions in condensed phases, is a major bottleneck. We propose a quantum-classical algorithm for fast, yet, accurate…
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…
Particle-in-cell merging algorithms aim to resample dynamically the six-dimensional phase space occupied by particles without distorting substantially the physical description of the system. Whereas various approaches have been proposed in…
Pileup involves the contamination of the energy distribution arising from the primary collision of interest (leading vertex) by radiation from soft collisions (pileup). We develop a new technique for removing this contamination using…
The determination of charged particle trajectories (tracking) in collisions at the CERN Large Hadron Collider (LHC) is one of the most important aspects for event reconstruction at hadron colliders. This is especially true in the high…
It is well known that the number of particles should be scaled up to enable industrial scale simulation. The calculations are more computationally intensive when the motion of the surrounding fluid is considered. Besides the advances in…
We present a hybrid method for time-dependent particle transport that combines Monte Carlo (MC) estimation with a deterministic discrete ordinates (\(S_N\)) solve, augmented by quasi-Monte Carlo (QMC) sampling. For spatial discretizations,…
Ultracold atomic systems have been of great research interest in the past, with more recent attention being paid to systems of mixed species. In this work we carry out non-perturbative Path Integral Monte Carlo (PIMC) simulations of N…
We show that controlled inelastic collisions can improve the single atom loading efficiency in the collisional blockade regime of optical microtraps. A collisional loss process where only one of the colliding atoms are lost, implemented…
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…
The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…
Immersed boundary-lattice Boltzmann method (IB-LBM) has been widely used for simulation of particle-laden flows recently. However, it was limited to small-scale simulations with no more than O(103) particles. Here, we expand IB-LBM for…