Related papers: Comparison of dynamical multifragmentation models
This article addresses reaction networks in which spatial and stochastic effects are of crucial importance. For such systems, particle-based models allow us to describe all microscopic details with high accuracy. However, they suffer from…
Molecular dynamics (MD) is a powerful and popular tool for understanding the dynamical evolution of materials at the nano and mesoscopic scales. There are various flavors of MD ranging from the high fidelity albeit computationally expensive…
We utilize magnetohydrodynamic (MHD) simulations to develop a numerical model for GMC-GMC collisions between nearly magnetically critical clouds. The goal is to determine if, and under what circumstances, cloud collisions can cause…
Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…
Fragmentation methods such as the many-body expansion (MBE) are a common strategy to model large systems by partitioning energies into a hierarchy of decreasingly significant contributions. The number of fragments required for chemical…
By means of quantum-dynamical and classical trajectory calculations of H2+ photodissociation in strong laser fields, it is shown that for certain combinations of pulse durations and intensities the rotational dynamics can lead to…
Molecular Dynamics - Green's Functions Reaction Dynamics (MD-GFRD) is a multiscale simulation method for particle dynamics or particle-based reaction-diffusion dynamics that is suited for systems involving low particle densities. Particles…
We develop a systematic framework for the model reduction of multivariate geometric Brownian motions (GBMs), a fundamental class of stochastic processes with broad applications in mathematical finance, population biology, and statistical…
We present a novel approach of mapping dissipative particle dynamics (DPD) into classical molecular dynamics. By introducing the invariant volume element representing the swarm of atoms we show that the interactions between the emerging…
One essential goal of constructing coarse-grained molecular dynamics (CGMD) models is to accurately predict non-equilibrium processes beyond the atomistic scale. While a CG model can be constructed by projecting the full dynamics onto a set…
We study $^{208}$Pb+$^{40,48}$Ca reactions at $E_{\rm beam}$ = 50, 100 AMeV with DJBUU and SQMD transport codes. We compare the large primary fragments from the two codes at the end of the simulation time. We observe that overall the two…
Modern machine learning (ML) models of chemical and materials systems with billions of parameters require vast training datasets and considerable computational efforts. Lightweight kernel or decision tree based methods, however, can be…
Large-scale molecular dynamics simulations with high accuracy have been increasingly popular for their capability to bridge the gap between atomistic modeling and mesoscale phenomena. Both machine learning potentials and enhanced sampling…
Quantum Molecular Dynamics models (QMD) are Monte Carlo approaches targeted at the description of nucleon-ion and ion-ion collisions. We have developed a QMD code, which has been used for the simulation of the fast stage of ion-ion…
We show that the effect of a Gaussian Bosonic environment linearly coupled to a quantum system can be simulated by a stochastic Lindblad master equation characterized by a set of ancillary Bosonic modes initially at zero temperature and…
The fragmentation of drops and bubbles in turbulence determines the rate of many processes in engineering and environmental fluid flows. The nonlinear coupling between interfacial and hydrodynamic stresses poses a fundamental difficulty to…
We consider a general model of branch competition that automatically leads to a critical branching configuration. This model is inspired by the $4-\eta$ expansion of the dielectric breakdown model (DBM), but the mechanism of arriving at the…
A boundary equilibrium bifurcation (BEB) in a hybrid dynamical system occurs when a regular equilibrium collides with a switching surface in phase space. This causes a transition to a pseudo-equilibrium embedded within the switching…
The inclusive energy distributions of fragments (4$\leq$Z$\leq$7) emitted in the reactions $^{16}$O (116 MeV) + $^{27}$Al, $^{28}$Si, $^{20}$Ne (145 MeV) + $^{27}$Al, $^{59}$Co have been measured in the angular range $\theta_{lab} $=…
The accurate prediction of tandem mass spectra from molecular structures has the potential to unlock new metabolomic discoveries by augmenting the community's libraries of experimental reference standards. Cheminformatic spectrum prediction…