MaterialsQM Consulting

Services

We are a full-service materials consultancy with vertically-integrated expertise in high-throughput computations, materals database development and machine learning analytics.

Consulting

We provide advice and guidance regarding the applications of computations / simulations and machine learning / artificial intelligence for materials discovery and optimization.

First-principles calculations

We specialize in the application of first-principles calculations rooted in quantum mechanics to predict the technological properties of materials from their atomic arrangement.

High-throughput calculations

Our unique suite of automation workflows enable the rapid screening of up to thousands of materials per week for targeted properties.

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.

Artificial intelligence

We develop novel AI and machine learning techniques 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

Staff 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.