The Center of Autonomous Materials Design develops tools for the discovery of new materials and their properties through innovative approaches and state-of-the-art modeling methods.
High-throughput discovery of thermodynamically stable phases for the engineering of novel materials.
Analyzing self-consistent crystallographic symmetries, identifying prototype structures, and automatically generating new materials.
Development of autonomous frameworks for thermomechanical, vibrational, and thermodynamic property predictions.
The AFLOW software suite was developed to provide a framework for high-throughput density functional calculations. It also contains numerous modules for symmetry analysis, structure prototyping, modeling of disordered materials, and the prediction of thermomechanical, mechanical, and vibrational properties. We also provide web applications and APIs for select tools of the AFLOW framework.Learn More ❯
Every other Thursday, our group offers virtual seminars from renowned researchers in the field of computational and experimental materials science. These talks cover a wide variety of topics, such as computational materials discovery, structural and energy materials, predicting materials properties, superconductivity, and high-entropy systems. Participation is open to everyone and free of charge.Learn More ❯
With millions of entries, the AFLOW database is the largest database for inorganic materials. Our full dataset is publicly accessible through web applications and APIs. The AFLOW Encyclopedia of Crystallographic Prototypes provides a collection of over 1,000 standardized crystal structure prototypes.Learn More ❯
The Center for Autonomous Materials Design and Duke University aspire to create a community built on collaboration, innovation, creativity, and belonging. Our collective success depends on the robust exchange of ideas — an exchange that is best when a rich diversity of perspectives, backgrounds, and experiences flourishes. To achieve this exchange, it is essential that all members of the community feel secure and welcome, that the contributions of all individuals are respected, and that all voices are heard. All members of our community have a responsibility to uphold these values.