most citedTinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems

92 citations · 92 across the 1 of their papers we have counts for

collaborators

2 papers

physics.comp-ph2020★ 92 cited

Tinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems

Olivier Adjoua, Louis Lagardère, Luc-Henri Jolly +9

We present the extension of the Tinker-HP package (Lagardère et al., Chem. Sci., 2018,9, 956-972) to the use of Graphics Processing Unit (GPU) cards to accelerate molecular dynamic…

physics.med-ph2019

Reduced-order modeling of hemodynamics across macroscopic through mesoscopic circulation scales

Olivier Adjoua, Stéphanie Pitre-Champagnat, Didier Lucor

We propose a hemodynamic reduced-order model bridging macroscopic and meso-scopic blood flow circulation scales from arteries to capillaries. In silico tree like vascular geometrie…