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Case Study Panasonic Small Molecule Development

Panasonic utilized Citrine's AI platform to develop new organic semiconductor molecules, achieving a 25% increase in hole mobility while significantly reducing research and development time. The collaboration focused on leveraging machine learning to analyze molecular structures, leading to four patent-pending compounds. This approach not only improved performance but also provided valuable insights into molecular topology's impact on hole mobility.

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36 views2 pages

Case Study Panasonic Small Molecule Development

Panasonic utilized Citrine's AI platform to develop new organic semiconductor molecules, achieving a 25% increase in hole mobility while significantly reducing research and development time. The collaboration focused on leveraging machine learning to analyze molecular structures, leading to four patent-pending compounds. This approach not only improved performance but also provided valuable insights into molecular topology's impact on hole mobility.

Uploaded by

safwanz2000
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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CASE

STUDY

citrine.io • info@citrine.io

MACHINE LEARNING
ACCELERATES
MATERIALS DISCOVERY
PANASONIC DEVELOPS NEW, PATENT
PENDING ORGANIC SEMICONDUCTOR
MOLECULES WITH CITRINE’S AI PLATFORM

| EXECUTIVE SUMMARY

IP GROWN PERFORMANCE TIME SAVED NEW INSIGHTS


PATENTS PENDING IMPROVED ONLY 196 DFT INTO HOW
ON HIGH MOBILITY 25% INCREASE IN CALCULATIONS MOLECULAR
THIEONOACENES HOLE MOBILITY PERFORMED ON > 1 TOPOLOGY AFFECTS
CALCULATED MILLION CANDIDATES HOLE MOBILITY

| THE CHALLENGE
“This work demonstrates the utility The internet of things requires flexible, lightweight
and inexpensive semiconductors. Panasonic is already
of using the sequential learning using organic semiconductors for IOT applications, but
methodology to design experiments they needed a way to reduce processing costs while also
for the discovery of novel materials.” increasing performance. Heteroacenes are a molecular
class of organic semiconductor that are soluble in organic
solvents, enabling cheap spin-coating techniques. But
Nobuyuki Matsuzawa, there are millions of them, far too many to exhaustively
survey experimentally or computationally. Panasonic and
Panasonic
Citrine combined their expertise to meet this challenge.

1
CASE
STUDY
citrine.io • info@citrine.io

| THE APPROACH | THE RESULTS


Citrine created a list of feasible molecular candidates With the help of Citrine, Panasonic designed a
(design space) based on the Panasonic scientists' intuition molecule with 25% higher hole mobility than they had
and knowledge of molecular design principles. In previously seen, in record time. This compound and 3
particular, the Citrine Platform's ability to interpret and others discovered via this AI-driven workflow are now
analyze chemical formulas – especially the representation patent pending, and Panasonic plans to synthesize them
of fused rings – was essential for this step. in the near future.

Next, Panasonic's molecular simulation team combined In addition to reduced R&D time and cost, the
their expertise in physics-based Density Functional Panasonic team gained insight into the effects of
Theory (DFT) and Molecular Dynamics (MD) simulations molecular structure and fused thiophene rings on hole
with the AI capabilities of the Citrine Platform. MD and mobility. This scientific knowledge is now captured
DFT are less time-consuming than synthesizing and in the machine learning models and can be reused on
testing physical samples, but they still take days. Citrine's future projects.
AI was able to focus the Panasonic team's efforts on
simulations with the highest likelihood of success.

FOCUSSING FINDING THE


EFFORT ON HIGH NEEDLE IN THE
VALUE ACTIVITY HAYSTACK

ABOUT CITRINE INFORMATICS


FIND OUT MORE Citrine Informatics is the award-winning materials informatics platform for data-driven materials
and chemicals development. It won the 2017 World Materials Forum Start-up Challenge, the
2018 AI Breakthrough award as the "Best AI-based Solution for Manufacturing", and 2020
Cleantech 100 honors. The Citrine Platform combines smart materials data infrastructure and
Artificial Intelligence, which accelerates development of cutting-edge materials, facilitates
product portfolio optimization, and codifies research IP; enabling its reuse and preventing
ARRANGE AN DOWNLOAD THE
its loss. Citrine's customers include Panasonic, LANXESS, and some of the biggest and most
ONLINE MEETING TECHNICAL
CASE STUDY respected names in the materials and chemicals industry in Asia, North America, and Europe.
For more information visit our website at Citrine.io, or contact us at +1 650-276-7318.

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