Nanotechnology Now

Our NanoNews Digest Sponsors

Heifer International

Wikipedia Affiliate Button

Home > Press > Supercomputers Accelerate Development of Advanced Materials: Berkeley Lab helps develop a Google-like search engine for materials research

Berkeley Lab scientist Kristin Persson co-founded the Materials Project, to accelerate discovery of new materials. (Photo by Roy Kaltschmidt/Berkeley Lab)
Berkeley Lab scientist Kristin Persson co-founded the Materials Project, to accelerate discovery of new materials.

(Photo by Roy Kaltschmidt/Berkeley Lab)

Abstract:
New materials are crucial to building a clean energy economy—for everything from batteries to photovoltaics to lighter weight vehicles—but today the development cycle is too slow: around18 years from conception to commercialization. To speed up this process, a team of researchers from the U.S. Department of Energy's Lawrence Berkeley National Laboratory (Berkeley Lab) and the Massachusetts Institute of Technology (MIT) teamed up to develop a new tool, called the Materials Project, which launches this month.

Supercomputers Accelerate Development of Advanced Materials: Berkeley Lab helps develop a Google-like search engine for materials research

Berkeley, CA | Posted on November 8th, 2011

"Our vision is for this tool to become a dynamic ‘Google' of material properties, which continually grows and changes as more users come on board to analyze the results, verify against experiments and increase their knowledge," says Kristin Persson, a Berkeley Lab chemist and one of the founding scientists behind the Materials Project. "So many scientists can benefit from this type of screening. Considering the demand for innovative clean energy technology we needed most of these materials yesterday."

The Materials Project employs an approach to materials science inspired by genomics. But rather than sequencing genomes, researchers are using supercomputers to characterize the properties of inorganic compounds, such as their stability, voltage, capacity, and oxidation state. The results are then organized into a database with a user-friendly, web interface that gives all researchers free and easy access and searching.

"First-principles calculations have reached the point of accuracy where many materials properties, relevant for photovoltaics, batteries and thermoelectrics, can be reliably predicted," says Gerbrand Ceder, an MIT professor of materials science and engineering and founder of the Materials Project.

A better battery—one that is cheaper and has more power and energy while being safe—could finally make possible the dream of an electric vehicle reaching performance and cost parity with a gasoline-powered car. But beyond batteries, novel materials could transform a host of other industries, from food packaging to buildings. For example, the Materials Project is working with with several entities interested in making stronger, corrosion-resistant lightweight aluminum alloys, which could make possible lighter vehicles and airplanes.

"Materials innovation today is largely done by intuition, which is based on the experience of single investigators," says Persson, who works in Berkeley Lab's Environmental Energy Technologies Division. "The lack of comprehensive knowledge of materials, organized for easy analysis and rational design, is one of the foremost reasons for the long process time in materials discovery."

President Obama has recognized the importance of advanced materials with his announcement in June of the Materials Genome Initiative "to double the speed with which we discover, develop, and manufacture new materials." Many of the concepts of that initiative were inspired by the Materials Project, Persson said.

With the help of supercomputers at the Department of Energy's National Energy Research Scientific Computing Center (NERSC), the Berkeley Lab Lawrencium cluster and systems at the University of Kentucky, the Materials Project database currently contains the structural and energetic properties of more than 15,000 inorganic compounds, and up to hundreds more are added every day. Researchers are continuously adding new properties to enable true rational design of new materials for a wide variety of applications.

A Gateway For Science

To build the Materials Project web tool, the team approached computer systems engineers at NERSC who have extensive experience building web-based interfaces and technologies—called science gateways—that make it easier for scientists to access computational resources and share data with the rest of their community.

"The Materials Project represents the next generation of the original Materials Genome Project, developed by Ceder's team at MIT," says Shreyas Cholia, a NERSC computer engineer who helped develop the Materials Project tool. "The core science team worked with developers from NERSC and Berkeley Lab's Computational Research Division to expand this tool into a more permanent, flexible and scalable data service built on top of rich modern web interfaces and state-of-the-art NoSQL database technology."

The Materials Project, which will be hosted on NERSC's science gateway infrastructure, was developed with support from the Department of Energy and a Laboratory Directed Research and Development grant from Berkeley Lab.

In addition to Persson and Cholia, other Berkeley Lab contributors to this project include Michael Kocher, Daniel Gunter, Annette Greiner, David Skinner and David Bailey. MIT collaborators include Gerbrand Ceder, Shyue Ping Ong, Anubhav Jain, Geoffroy Hautier and Evgueni Chtykov.

####

About Berkeley Lab
Lawrence Berkeley National Laboratory addresses the world’s most urgent scientific challenges by advancing sustainable energy, protecting human health, creating new materials, and revealing the origin and fate of the universe. Founded in 1931, Berkeley Lab’s scientific expertise has been recognized with 13 Nobel prizes. The University of California manages Berkeley Lab for the U.S. Department of Energy’s Office of Science. For more, visit www.lbl.gov.

For more information, please click here

Contacts:
NERSC Contact:
Linda Vu
(510) 495-2402

Copyright © Berkeley Lab

If you have a comment, please Contact us.

Issuers of news releases, not 7th Wave, Inc. or Nanotechnology Now, are solely responsible for the accuracy of the content.

Bookmark:
Delicious Digg Newsvine Google Yahoo Reddit Magnoliacom Furl Facebook

Related News Press

Laboratories

Carbon nanotube optics poised to provide pathway to optical-based quantum cryptography and quantum computing: Researchers are exploring enhanced potential of carbon nanotubes for unique applications June 18th, 2018

Building nanomaterials for next-generation computing: Scientists recently developed a blueprint to fabricate new nanoheterostructures using 2D materials June 1st, 2018

News and information

Carbon nanotube optics poised to provide pathway to optical-based quantum cryptography and quantum computing: Researchers are exploring enhanced potential of carbon nanotubes for unique applications June 18th, 2018

Camouflaged nanoparticles used to deliver killer protein to cancer June 17th, 2018

Squeezing light at the nanoscale: Ultra-confined light could detect harmful molecules June 17th, 2018

Physicists devise method to reveal how light affects materials: The new method adds to the understanding of the fundamental laws governing the interaction of electrons and light June 15th, 2018

Chemistry

Quantum Interference May Be Key to Smaller Insulators: Breakthrough could jumpstart further miniaturization of transistors June 6th, 2018

Density gradient ultracentrifugation for colloidal nanostructures separation and investigation June 5th, 2018

From Face Recognition to Phase Recognition: Neural Network Captures Atomic-Scale Rearrangements: Scientists use approach analogous to facial-recognition technology to track atomic-scale rearrangements relevant to phase changes, catalytic reactions, and more May 31st, 2018

Govt.-Legislation/Regulation/Funding/Policy

Carbon nanotube optics poised to provide pathway to optical-based quantum cryptography and quantum computing: Researchers are exploring enhanced potential of carbon nanotubes for unique applications June 18th, 2018

Camouflaged nanoparticles used to deliver killer protein to cancer June 17th, 2018

Squeezing light at the nanoscale: Ultra-confined light could detect harmful molecules June 17th, 2018

Tripling the Energy Storage of Lithium-Ion Batteries: Scientists have synthesized a new cathode material from iron fluoride that surpasses the capacity limits of traditional lithium-ion batteries June 14th, 2018

Materials/Metamaterials

Making quantum puddles: Physicists discover how to create the thinnest liquid films ever June 13th, 2018

Nickel ferrite promotes capacity and cycle stability of lithium-sulfur battery June 13th, 2018

Evidence for a new property of quantum matter revealed: Electrical dipole activity detected in a quantum material unlike any other tested June 11th, 2018

Nano-saturn: Supramolecular complex formation: Anthracene macrocycle and C60 fullerene June 8th, 2018

Announcements

Carbon nanotube optics poised to provide pathway to optical-based quantum cryptography and quantum computing: Researchers are exploring enhanced potential of carbon nanotubes for unique applications June 18th, 2018

Camouflaged nanoparticles used to deliver killer protein to cancer June 17th, 2018

Squeezing light at the nanoscale: Ultra-confined light could detect harmful molecules June 17th, 2018

Physicists devise method to reveal how light affects materials: The new method adds to the understanding of the fundamental laws governing the interaction of electrons and light June 15th, 2018

NanoNews-Digest
The latest news from around the world, FREE



  Premium Products
NanoNews-Custom
Only the news you want to read!
 Learn More
NanoStrategies
Full-service, expert consulting
 Learn More











ASP
Nanotechnology Now Featured Books




NNN

The Hunger Project