1. The Materials Project
Overview Achievements Your research on MP
PI / Director: Kristin Persson, LBNL / UC Berkeley
Presenter / Associate Director: Anubhav Jain
A small team generates
data on specific materials
using advanced
computations; providing
organization and
dissemination
>260,000 registered users access
the data for research
AND can contribute
back data of various
types (experimental,
high-level theory,
literature parsing)
Past year: average of
≈200 new regs/day
The Materials Project is a multidisciplinary
project with over 250,000 registered users.
It accelerates materials design by developing
code for computational materials science,
calculating databases of materials properties,
disseminating materials data, and creating
design tools for functional materials
discovery.
code data dissemination design
The project continues to
deliver new calculated
data and recently has
worked on improving
overall accuracy (via
R2SCAN), magnetic
orderings, vibrational
properties, and modeling
non-ordered compounds.
The simulated data has been used by the community and core
team to identify experimentally-confirmed new materials in a
variety of application areas.
The new MPContribs capability allows users to
contribute their own data sets and integrate them
with the MP core data. Some data sets have dedicated
web apps for exploration and reusable components
are being developed for rich data set exploration.
The Matbench project
allows researchers to
submit machine learning
algorithms and compare
their performance on a
variety of tasks against
existing benchmarks.