Roberto Car

Chemist Car wins DOE funding for computational chemistry center

By
Liz Fuller-Wright, Office of Communications
on Sept. 20, 2018, 11:53 a.m.

Roberto Car

Photo by
C. Todd Reichart, Department of Chemistry

The U.S. Department of Energy (DOE) announced Wednesday, Sept. 19, that Roberto Car, Princeton’s Ralph W. *31 Dornte Professor in Chemistry(Link is external) and a professor with the Princeton Institute for the Science and Technology of Materials(Link is external), was one of 10 researchers to win funding for computational chemistry. His proposal title was “Computational Chemical Science Center: Chemistry in Solution and at Interfaces.”

The researchers, located at nine universities and the Ames Laboratory in Iowa, are developing open-source software for supercomputers to aid in developing new catalysts, solvents, photo-sensitive materials, and a range of other molecules and chemical processes.

Car, a member of Princeton’s faculty since 1999, is also associated faculty in physics(Link is external), the Program in Computational and Applied Mathematics(Link is external), and the Princeton Institute for Computational Science and Engineering (PICSciE)(Link is external).

Projects were chosen by competitive peer review under the Office of Basic Energy Sciences(Link is external) within the DOE Office of Science. The award recipients will share a total of $21.6 million for projects lasting four years in duration. See the list of projects(Link downloads document) for more information.

Related Stories

Physicist Marlow wins DOE funding for high energy physics .

Princeton physicist Daniel Marlow is one of 77 recipients of four years of DOE funding.

DOE Energy Frontier Research Center at Princeton to focus on bioinspired light-escalated chemistry .

The award will be funded at a total of $10.75 million over a four-year period. The research center will be under the leadership of Gregory Scholes, the William S. Tod Professor of Chemistry.

Physical chemist Roberto Car named a lifetime AAAS fellow .

Chemist Roberto Car has been named a lifetime fellow by the American Association for the Advancement of Science.

How water turns into ice — with quantum accuracy .

Combining artificial intelligence and quantum mechanics, researchers at Princeton have simulated what happens at the molecular level when water freezes. The result is the most complete yet simulation of the first steps in ice “nucleation,” a process important for climate and weather modeling.

Princeton professors Avalos, Yang receive DOE funding for biotechnology advances .

José Avalos and Haw Yang received DOE funding for biofuel research.

Students honored for academic achievement at Opening Exercises .

Seven undergraduate students received awards honoring their exceptional academic achievement at Princeton’s Opening Exercises on Sept. 8.

Chemistry and computer science join forces to apply artificial intelligence to chemical reactions .

Princeton chemists and computer scientists teamed up to develop open-source software that provides them with a state-of-the-art optimization algorithm to use in everyday work, folding what’s been learned in the machine learning field into synthetic chemistry.