LAMMPS is a powerful simulator originally developed for molecular dynamics that, today, also accounts other particle-based algorithms such as DEM, SPH, or Peridynamics. The versatility of this software further enhanced by the fact that it open-source and modifiable users. This property suits particularly well Discrete Multiphysics hybrid models combine multiple particle methods in same simulati...

Cardiovascular pathologies, such as a brain aneurysm, are affected by the global blood circulation as well as by the local microrheology. Hence, developing computational models for such cases requires the coupling of disparate spatial and temporal scales often governed by diverse mathematical descriptions, e.g., by partial differential equations (continuum) and ordinary differential equations f...

Tuning codes for GPGPU architectures is challenging because few performance tools can pinpoint the exact causes of execution bottlenecks. While profiling applications can reveal execution behavior with a particular architecture, the abundance of collected information can also overwhelm the user. Moreover, performance counters provide cumulative values but does not attribute events to code regio...

Introduction. Demonstrating the use of GPUs for technical computing normally focuses on the use of GPU-tuned algorithms for accelerating applications over the baseline performance on a CPU. Although speedups of as much as 100x or greater are sometimes reported, more realistic speedups are in the range of 2x to 10x when careful consideration and effort is given to comparable optimizations for th...

On account of the trend of the latest microelectronic technology to become progressively smaller, it becomes increasingly important to predict the thermal behavior of constituent materials. Among the most promising candidates for use in microelectronics and thermal conductors are carbon nanotubes (CNTs). Thermal properties of such small scale components are difficult to measure experimentally. ...

This paper investigates the transverse contraction of amorphous bilayer 2D Silica with varying network heterogeneities under uniaxial tensile loading using athermal molecular simulations in LAMMPS. It turns out that increases nonlinearly x-strain while it decreases increasing heterogeneity. We show is possible to engineer heterogeneity materials, making them potential candidates for nano-electr...