|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Building an ICME Infrastructure: Developing Tools that Integrate Across Length and Time Scales to Accelerate Materials Design
||TAMMAL: High throughput Materials Design Suite
||Raymundo Arroyave, Anjana Talapatra, Thien Duong, Woongrak Son, Ruben Villareal
|On-Site Speaker (Planned)
TAMMAL (Texas A&M Materials Modeling Automation Library) is a multi-dimensional, open-source, suite of tools developed by the Design of Materials Design (DOMD) group at TAMU which has been written with the purpose of solving complex, multi-level, materials design problems. It includes and is not limited to modules for high-throughput ab initio calculations to describe mechanical properties, finite temperature properties, structure transformations, energy landscapes, cluster expansions; materials design via efficient global optimization techniques. It has been integrated with a number of other softwares such as VASP, Pymatgen, MaterialsProject, Abaqus and other in house packages for thermodynamic modeling to enable smooth customized dynamic workflows. We will demonstrate a number of high throughput libraries generated using this package, materials design solutions as well as the complex workflows that it makes possible.
||Planned: Supplemental Proceedings volume