The Seeds of the Materials Revolution

In 2005, Gerd Ceder was a Professor of Materials Science at MIT working on computational methods to predict new materials. Traditionally, materials scientists worked mostly through trial and error, working to identify materials that had properties that would be commercially valuable. Gerd was working to automate that process using sophisticated computer models that simulate the physics of materials.

Things took a turn when an executive at Duracell, then a division of Procter & Gamble, asked if Ceder could use the methods he was developing to explore possibilities on a large scale to discover and design new materials for alkaline batteries. So he put together a team of a half dozen "young guns" and formed a company to execute the vision.

The first project went well and the team was able to patent a number of new materials that hadn't existed before. Then another company came calling, which led to another project and more after that. Yet despite the initial success, Ceder began to realize that there was a problem. Although the team's projects were successful, the overall impact was limited.

"We began to realize we're generating all this valuable data and it's being locked away in corporate vaults. We wanted to do something in a more public way," Ceder told me. As luck would have it, it was just then that one of the team members was leaving MIT for family reasons and that chance event would propel the project to new heights.

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In 2008, Kristin Persson's husband took a job in California, so she left Ceder's group at MIT and joined Lawrence Berkeley National Laboratory (LBL) as a research scientist. Yet, rather than mourn the loss of a key colleague, the team saw the move as an opportunity to shift their work into high gear. "At MIT, we pretty much hacked everything together," Ceder explains. "It all worked, but it was a bit buggy and would have never scaled beyond our small team. At a National Lab, however, they had the resources to build it out properly and create a platform that could really drive things forward." So Persson hit the ground running, got a small grant and stitched together a team to combine the materials work with the high performance supercomputing done at the lab.

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