Hacking Materials
Research Group

computational materials science at berkeley lab

About Us

Led by Dr. Anubhav Jain and located in Berkeley, California (just outside of San Francisco), the Hacking Materials group at LBNL leverages advances in theoretical materials science, supercomputing, and informatics to understand and design new materials for renewable energy applications. We work closely with experimental groups to bring materials from the computer to the laboratory. We currently work mainly on thermoelectric materials, thermal storage materials, and data analytics for solar installations. We also apply natural language processing techniques to extract information from millions of articles in the scientific literature. Our current projects include:

  • The Materials Project, an effort to calculate the properties of all known inorganic materials and beyond
  • Applying natural language processing techniques to the extraction of knowledge from scientific texts
  • Developing new methods to calculate electron and thermal transport and designing new thermoelectric materials
  • Image analysis of electroluminescence images of solar modules and cells to detect cracks
  • Analyzing time-series and geospatial data sets of solar installations
  • Developing open-source frameworks for machine learning composition-structure-property relationships in materials
  • Developing codes to analyze the crystal structures of inorganic compounds


To browse our publications, please visit Google Scholar or ResearchGate.


Anubhav Jain

Group Lead

Todd Karin

Project scientist
Solar data analytics

Alex Ganose

Postdoctoral Scholar
Materials Data Mining

Junsoo Park

Postdoctoral scholar
Thermoelectrics design

Alexander Dunn

Graduate Student Researcher
High-throughput calculation & data mining

Viktoriia Baibakova

Graduate Student Researcher
Natural Language Processing

Xin Chen

Graduate Student Researcher
Image analysis

Kevin Yang

Undergraduate Researcher
Text mining


Saurabh Bajaj

→Data Engineer, Citrine Informatics


Jason Frost

→Synapse Energy Economics


Sayan Rowchowdhury

→PhD candidate, Duke University


Michael Kim

→(continuing studies)


Julien Brenneck

→(continuing studies)


Nils Zimmermann



Ben Ellis

→Data Scientist, Sauce Labs


Hillary Pan

→PhD candidate, Cornell University


Alireza Faghaninia

→Data Scientist, Credit Karma


Daniel Dopp

→(continuing studies)


Peiyuan Yu

→Professor, SUSTech Shenzhen


Samy Cherfaoui



Evan Spotte-Smith

→PhD Candidate, UC Berkeley


Rees Chang

→(continuing studies)


Qi Wang

Postdoc Affiliate
→Postdoc, Johns Hopkins


Leigh Weston

→Machine learning scientist, Medium


Avni Singhal

Undergraduate Researcher
→(continuing studies)


Matt Zhou

Undergraduate Researcher
→(continuing studies)


Arsineh Apelian

Undergraduate Researcher
→(continuing studies)


Joining our group

We have two new postdoc-levels positions available, starting immediately. The first is in data mining for solar: apply here. The second is in automated experiments: apply here.

Current graduate students who are U.S. citizens or permanent residents can spend 3-12 months with us (funded) through the DOE SCGSR program. Application due date is November 10, 2021. Contact us if you are planning to apply for our lab, but check the eligibility requirements first!

Undergraduate students interested in working with us should apply through the SULI program. Application deadlines vary by term.

If you'd like to be notified of new openings, one option is to subscribe to our Twitter feed. Tweets about job openings begin with the word "Announcement" and are deleted once the position is filled.

If you're curious about what it is like to work in our group, you might consider reviewing our group handbook.

Explore what's new.

Publication Tweets

Read bite-sized paper summaries.

Open-source software

Clone/fork from our Github page.

Presentation slides

Review our presentation slides.


Read the HackingMaterials blog.