Anubhav Jain

Lawrence Berkeley National Laboratory; Fellow 2008-2011

The road to completing a doctorate under the DOE CSGF can lead in unexpected directions.

Anubhav Jain, a fellow from 2008 to 2011, wasn’t planning to work in computation. He was more interested in experimental research on drug delivery systems. But he had trouble finding a spot with a biomaterials laboratory in graduate school.

“I ended up leveraging some of my prior programming experience to do high-throughput computational materials science on battery materials,” Jain says. The project helped form the basis for the Materials Project, part of what occupies Jain now as a Lawrence Berkeley National Laboratory research scientist. “It's all ended up quite well,” he adds.

The Materials Project computationally discovers as many new substances as possible and predicts their properties. The data is shared on the Web, helping scientists move materials into applications more quickly.

Jain says his training was unusual in his field. “Many computational materials scientists aren’t very interested in knowing much about large computers, how they work, and what limits they face,” he says, inhibiting researchers’ ability to apply high-performance computing. “The DOE CSGF brought many of these issues to the forefront and helped develop an appreciation and understanding of computer science issues in large calculations.”