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.
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.
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.
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.
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.
