An Industrial Perspective on FAIR Data and Machine Learning for Materials
Presented 3-5 June 2020 @ FAIR Data Infrastructure and Materials Genomics, organized by FAIR Data Infrastructure for Physics, Chemistry, Materials Science, and Astronomy e.V.
Research at Citrine
Citrine advances the field of Materials Informatics through collaboration and education
EXTERNAL RESEARCH
Citrine’s External Research Department works on externally-funded collaborations with academia, national labs, and industry, providing unique expertise and a 5-year track record of success.
TECHNOLOGY DIFFERENTIATION
Citrine is continually advancing the frontier of materials informatics.
Education and Training
Citrine supports learning and research opportunities at partner universities and through internships.
Projects
Projects span varied material classes and involve collaborators across industry, government, and academia. In each case Citrine is providing expertise in data management, machine learning and analysis to enable an accelerated assessment of a broader field of material candidates.
The External Research Team
- M.Sc., Chemistry, University of Maryland
- B.Sc., Chemistry, University of California, Santa Barbara
- Ph.D, Northwestern University
- MS, Jawaharlal Nehru Centre for Advanced Scientific Research
- BTech, IIT Madras
- MBA, Stanford University
- Ph.D, Materials Science & Engineering, Northwestern University
- BAS, Materials Science & Engineering and German Studies, Stanford University
- Ph.D, Energy Science and Engineering, Univ. of Tennessee
- M.S., Applied Physics, Calif. State Univ. Long Beach
- B.S., Physics, Cal Poly San Luis Obispo
- Ph.D, Chemistry, Stanford University
- B.S., Chemistry, Tulane University
- Ph.D., Materials Science & Engineering, The Pennsylvania State University
- M.S., Materials Science & Engineering, The Pennsylvania State University
- B.S., Materials Science & Engineering, Rice University
“ERD projects offer exciting opportunities to apply cutting-edge statistical tools to materials design problems. We partner with world-class academic groups and labs to realize novel, high-performance materials in a variety of applications including thermoelectrics and compositionally-complex alloy design.”
Chris Borg
RESEARCH SCIENTIST
Before joining Citrine Chris’s research focused on magnetic materials, solid-state synthesis, and data mining in materials.
EXAMPLE PROJECT
Chris is working on a project focused on applying statistical design tools to develop new high-performing compositionally-complex alloys. These alloys seek to outperform industry standard Ni-superalloys for high-temperature engine turbine applications.
“What I enjoy most about my work at Citrine is the intersection of perspectives from industry and academia, doing scientific research that is both basic and applied.”
Vinay Hedge
POSTDOCTORAL FELLOW
Educational background: PhD in Materials Science and Engineering
(Thesis: Data-driven high-throughput materials discovery and knowledge extraction)
EXAMPLE PROJECT
Vinay is helping to bring Citrine’s expertise in data, machine learning, and physics-based simulations to the ACED program (https://www.cmu.edu/aced/), a multi-institute collaborative effort to accelerate the design of novel electrochemical systems by at least 80%.
Bryce Meredig
COFOUNDER AND CHIEF SCIENCE OFFICER
“In External Research, we have the exciting opportunity to work with world-class collaborators on important materials science challenges, while bringing a unique Citrine lens to these projects. In particular, we focus on using domain-specific machine learning, state-of-the-art software infrastructure, and physics-based simulations to accelerate materials research.”
“The External Research Team gets to use all the powerful tools that Citrine has developed for conducting original scientific research in collaborations with government and academic groups who are leaders in their fields.”
Eric Muckley
RESEARCH SCIENTIST
Before joining Citrine Eric researched cold atom trapping, organic photovoltaics, gas/vapor sensing, automated high-throughput materials synthesis and characterization.
EXAMPLE PROJECT
Eric helped to build an automated software pipeline from Argonne National Lab’s Advanced Photon Source to Citrine’s cloud-based Citrination, enabling researchers to utilize their beamline data for machine learning models that can be accessed anywhere in the world.
“It is exciting to work with experts in different fields of materials science and connect them with the new technology and expertise that Citrine has to offer.”
Clara Nyby
Postdoctoral Fellow
As a graduate student, Clara’s research focused on capturing structural snapshots of ultrafast atomic motion in 2D materials and searching for the fundamental time limits of phase changes in these materials.
EXAMPLE PROJECT
At Citrine, she has been working on using ML to gain insights into the nature of corrosion mechanisms across different classes of corrosion resistant alloys (CRAs) as well as to build a predictive model capable of identifying new, high performing CRAs.
“The External Research program gives us an opportunity to utilize our informatics tools on some of the toughest materials problems alongside the best domain experts in many fields of materials science.”
James Saal
MANAGER-EXTERNAL RESEARCH PROGRAMS
Before joining Citrine in 2018, James was Manager of Technology at QuesTek Innovations, leading programs in ICME computational materials design. James’s prior research focused on materials thermodynamics using CALPHAD and DFT for ceramics and alloys.
EXAMPLE PROJECT
Currently using Sequential Learning to develop high-performance high-entropy alloys for high-temperature structural applications alongside partners at UCSB and Berkeley.
PUBLICATIONS
Data‐driven glass/ceramic science research: Insights from the glass and ceramic and data science/informatics communities
Data‐driven science and technology have helped achieve meaningful technological advancements in areas such as materials/drug discovery and health care, but efforts to apply high‐end data science algorithms to the areas of glass and ceramics are still limited. Many glass and ceramic researchers are interested in enhancing their work by...
Design space visualization for guiding investments in biodegradable and sustainably sourced materials
In many materials development projects, scientists and research heads make decisions to guide the project direction. For example, scientists may decide which processing steps to use, what elements to include in their material selection, or from what suppliers to source their materials. Research heads may decide whether to invest...
