Open Access. Powered by Scholars. Published by Universities.®

Life Sciences Commons

Open Access. Powered by Scholars. Published by Universities.®

Environmental Sciences

Open Access Theses & Dissertations

Theses/Dissertations

2018

MD simulations

Articles 1 - 1 of 1

Full-Text Articles in Life Sciences

Massively Parallel Computational Studies Of Material Response At High Strain Rate Deformation, Jayalath Abeywardhana Mudiyanselage Madawa Abeywardhana Jan 2018

Massively Parallel Computational Studies Of Material Response At High Strain Rate Deformation, Jayalath Abeywardhana Mudiyanselage Madawa Abeywardhana

Open Access Theses & Dissertations

Large scale molecular dynamics (MD) simulations are now commonly utilized to study materials at extreme conditions: high pressure and/or temperatures and ultra-high strain rates of deformation. A variety of emerging architectures such as general purpose graphics processing units (GP-GPU) and many-integrated core (MIC) architecture as well as new execution models have changed the traditional approach of high-performance computing. ExMatEx, the DoE initiative for enabling exa-scale (10^18 flops) performance in scientific applications, has developed several proxy applications to facilitate co-design of novel algorithms and hardware by software developers and microchip vendors.

We have used CoMD, a proxy application for classical MD, …