Services

We help our customers identify novel compounds with targeted properties in a cost-effective manner.

First-principles calculations

We perform calculations rooted in quantum mechanics that predict the technological properties of new materials given knowledge only of their atomic arrangement.

High-throughput calculations

We develop automation software and harness supercomputers to perform thousands of calculations per week.

Compound selection and discovery

We work with clients to predict which compounds, out of potentially thousands of possibilities, are most likely to exhibit technological properties of interest.

Data analytics

We employ statistical analysis and data mining to extract insights from large materials data sets.

Partners

We are leaders in the field of computational design with multiple patents issued and active research groups.

Dr. Shyue Ping Ong

Professor
University of California, San Diego

Professor Ong received his B.A. and MEng from University of Cambridge in Electrical & Information Science Engineering (First Class Honors) and his Ph.D. in Materials Science & Engineering from the Massachusetts Institute of Technology. He currently leads the Materials Virtual Lab at U.C. San Diego.

Dr. Anubhav Jain

Research Scientist
Lawrence Berkeley National Laboratory

Dr. Jain received his B.S. from Cornell University in Applied & Engineering Physics and his Ph.D. in Materials Science & Engineering from the Massachusetts Institute of Technology. He currently leads the Hacking Materials group at Lawrence Berkeley National Lab.

Contact us

Have questions? To contact us, please email ongsp@ucsd.edu or ajain@lbl.gov.