Lawrence Livermore National Laboratory

Data Science Challenges in Materials and Chemistry

Lawrence Livermore National Laboratory (LLNL) is planning to hold its Computational Chemistry & Materials Science (CCMS) Summer Institute from June 7 to August 6, 2021.

This program offers graduate students the opportunity to work directly with leading LLNL researchers on the development and application of cutting edge methods in computational materials science and chemistry and other related areas of computational science. The 2021 CCMS Summer Institute will focus on “Data Science Challenges in Materials and Chemistry” to highlight challenges and research opportunities in the development and application of data analytics to optimization of existing materials and to searching for yet unknown materials with desirable properties.

Each student will spend ten weeks at LLNL as a guest of an LLNL host scientist working on a computational project in the host’s area of expertise. In addition, leading researchers from universities and national labs will give a series of mini-courses for the students. These courses will cover state-of-the-art and emerging computational methods in materials science and chemistry.

An artistic rendering of the interface between a photoabsorbing material and an aqueous electrolyte.


The program includes research projects on computational materials science and chemistry, weekly lectures by leading experts from universities and national labs, tours of LLNL, and networking activities.


Program topics include ab initio electronic structure theory, quantum chemistry, molecular dynamics, phase field modeling, computational mechanics, and multiscale modeling.


LLNL is located in the beautiful town of Livermore, just 40 miles east of San Francisco. Surrounded by vineyards and rolling hills, there’s something for everyone in Livermore, from wine tasting, to cycling, to a brand new cultural center. Explore the links below for more information about this area.

Financial Support

LLNL offers a generous salary and reimbursement of travel to and from LLNL.


The Institute will establish 10–15 summer fellowships for graduate students. Selections will be made from an open pool of applicants who have demonstrated a strong interest in computational sciences.

Application deadline: January 31, 2021

For full consideration, apply for the appropriate job posting on LLNL’s Careers site:


Questions? Contact us at

Hydrogen bubbles are produced at the surface of a new metal dichalcogenide electrocatalyst immersed in water.

Learn More

 Download the
CCMS Summer Institute Flyer (PDF)

 View past
CCMS Lectures