Development of Cloud-Oriented Materials Discovery Services (AFLOW-Cloud)
Abstract
Several high-performance GPU machines are requested for the development and operation ofadvanced online application programming and graphical user interfaces, interactive visualizations,and cloud-oriented services for materials discovery (collectively referred to as AFLOW-Cloud).Data-retrieval from the AFLOW.org repository (3 million compounds characterized with 500 millionproperties) will be accelerated/parallelized. On-the-fly interactive plots and visualizations will bedeveloped for newly generated thermomechanical, vibrational, and thermodynamic data. Cloud-based services will be offered through accessible web interfaces, employing dynamic machinelearning models for property prediction and symmetry/structure-comparison analyses for materialsclassification. AFLOW-Cloud will fuel research initiatives toward the prediction/synthesis of newfunctional materials as well as serve as an invaluable tool in training the next cadre of DoD scientists.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Apr 29, 2020
- Source ID
- N000142012299
Entities
People
- Stefano Curtarolo
Organizations
- Duke University
- Office of Naval Research
- United States Navy