Molecular dynamics is a method that uses Newton’s equations of motion to computationally simulate the time evolution of a set of interacting atoms. Such techniques are dependent on a description ...

Lipid nanoparticles (LNPs) are a critical platform for nucleic acid delivery, characterized by their kinetic assemblies and structural complexity. In this study, we integrated solution and solid-state ...

The existence of the spinodal decomposition phenomenon in the Fe–P metallic glasses (MGs) has long been debated, and the fundamental physical mechanism underlying the ductile-to-brittle transition, ...

3 groups: pro_lig lipid pro_lig_lipid check groups : gmx make_ndx -f md.gro -n prolig_center.ndx gmx trjconv -s md.tpr -f md.trr -o noPBC_step1.trr -pbc mol -center -n prolig_center.ndx select pro_lig ...

This paper presents our approach to model distributed discrete event simulation systems in the framework of distributed graph transformation. We use distributed typed attributed graph transformation ...

A collection of resources about partial differential equations, deep learning, graph neural networks, dynamic system simulation. We also roughly categorize the resources into the following categories ...