Related papers: A Direct Two-Dimensional Pressure Formulation in M…
On the base of the diffusion Monte-Carlo method we develop the method allowing to simulate the quantum systems with complex wave function. The method is exact and there are no approximations on the simulations of the module and the phase of…
Quasi-two-dimensional (quasi-2D) colloidal hard-sphere suspensions confined in a slit geometry are widely used as two dimensional (2D) model systems in experiments that probe the glassy relaxation dynamics of 2D systems. However, the…
In this paper we propose a two-dimensional (2D) computational model, based on a molecular dynamics (MD) approach, for deep landslides triggered by rainfall. Our model is based on interacting particles or grains and describes the behavior of…
A reliable prediction of 3D protein structures from sequence data remains a big challenge due to both theoretical and computational difficulties. We have previously shown that our kinetostatic compliance method (KCM) implemented into the…
Simulation of reasonable timescales for any long physical process using molecular dynamics (MD) is a major challenge in computational physics. In this study, we have implemented an approach based on multi-fidelity physics informed neural…
We propose a method for multi-scale hybrid simulations of molecular dynamics (MD) and computational fluid dynamics (CFD). In the method, usual lattice-mesh based simulations are applied for CFD level, but each lattice is associated with a…
Extending 3D Gaussian Splatting (3DGS) to 4D physical simulation remains challenging. Based on the Material Point Method (MPM), existing methods either rely on manual parameter tuning or distill dynamics from video diffusion models,…
This work aims to estimate time-resolved velocity field that is directly associated with pressure fluctuations in a subsonic round jet. To achieve this goal, synchronous measurements of the velocity field and in-flow pressure fluctuations…
The Dynamic Monte Carlo (DMC) method is an established molecular simulation technique for the analysis of the dynamics in colloidal suspensions. An excellent alternative to Brownian Dynamics or Molecular Dynamics simulation, DMC is…
The main contribution of this paper is the formulation of a diffuse approximation method(DAM), for two-dimensional channel flows. The proposed method is based on the vorticity-streamfunction formulation. The DAM which estimates derivates of…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
The increasing number of protein-based metamaterials demands reliable and efficient theoretical and computational methods to study the physicochemical properties they may display. In this regard, we develop a simulation strategy based on…
The Active Flux method is a finite volume method for hyperbolic conservation laws that uses both cell averages and point values as degrees of freedom. Several versions of such methods are currently under development. We focus on third order…
We introduce a simplified model of the electron-beam/plasma system to model the electrical breakdown caused by the inductive electric field created by a rapidly rising electron beam current. The rigid-beam model is a reduction to the…
The most important factor for quantitative results in molecular dynamics simulation are well developed force fields and models. In the present work, the development of new models and the usage of force fields from the literature in large…
Electron and proton acceleration in three-dimensional electric and magnetic fields is studied through test particle simulations. The fields are obtained by a three-dimensional magnetohydrodynamic simulation of magnetic reconnection in slab…
We present a novel method to compute the approximate global penetration depth (PD) between two non-convex geometric models. Our approach consists of two phases: offline precomputation and run-time queries. In the first phase, our…
A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulations and the relation to other simulation methods is…
We develop a 3D aerothermodynamic simulator for the Orion reentry capsule at hypersonic speeds, a timely case study given its role in upcoming lunar missions. The large computational meshes required for these scenarios make traditional…
Pressure serves as a fundamental tuning parameter capable of drastically modifying all properties of matter. The advent of diamond anvil cells (DACs) has enabled a compact and tabletop platform for generating extreme pressure conditions in…