Wolverton Research Group 💻

@NorthwesternU CompMat Group | Home of @TheOQMD | 🔬 High-throughput DFT, machine learning | Driven by discovery, powered by code 💻
#Materials_Science

[Northwestern Chemistry @NUChemistry]

Happy International Women and Girls in Science Day! #NUChemistry celebrates the remarkable women advancing research in nanotechnology, biomedical sciences, teaching innovation, and beyond. Your work shapes science today and inspires the leaders of tomorrow. #WomenInSTEM

[biohub @biohub]

👂What if we could hear disease?

Hossein Zargartalebi’s powerful @TEDTalks reveals a molecular sensor that monitors protein biomarkers in real time, enabling ultra-early disease detection + adaptive care. A step toward continuous, personalized medicine. https://t.co/E2Gqb3tpDA

[Wolverton Research Group 💻 @___WRG___]

New paper from our group! 🚨

Accurate first-principles κL is hard: HA+3ph often isn’t enough. We built a high-throughput workflow (SCPH + 3/4ph + off-diagonal heat flux) and ran it on 773 crystals.

read more👉 https://t.co/P8YmKzrhRR

[Wolverton Research Group 💻 @___WRG___]

Check out our new collaboration with @MercouriK group! The paper just dropped!

[J. Am. Chem. Soc. @J_A_C_S]

Crystalline Order Yet Glass-Like Heat Transport Driven by Hidden Local Distortions as the Structural Origin of Ultralow Thermal Conductivity in AgErTe2 | Journal of the American Chemical Society @NUChemistry @NorthwesternU https://t.co/GYhnUp7S64

[Wolverton Research Group 💻 @___WRG___]

Just published: “Tailored Ordering Enables High-Capacity Cathode Materials”
We introduce an ordering design framework to unlock high-capacity Li-ion cathodes!
Huge thanks to our collaborators at TRI, especially @steven_torrisi, for their support!
Read more:https://t.co/VXFQMi1mBL

[Wolverton Research Group 💻 @___WRG___]

New paper from our group! 🚨
Anomalous stability reversal in Mo-oxides challenges standard DFT+U practices
We demonstrate how U values can alter structural predictions and mislead stability analysis.
📄 read more: https://t.co/jaL8nkEKVd

[Wolverton Research Group 💻 @___WRG___]

Big congratulations to Dr. Tzu-Chen Liu on a successful PhD defense today! Your hard work and perseverance have truly paid off. We’re so proud of you! 👏🥳

[Wolverton Research Group 💻 @___WRG___]

Professor Wolverton has been named a fellow of the Materials Research Society!
Congrats, Chris!

https://t.co/a30EZ2khVr
@NorthwesternEng

[Mercouri Kanatzidis @MercouriK]

BaSbTe₂S: Where charge density waves (CDW) and superconductivity go head-to-head in a 2D chalcogenide showdown. A tunable incommensurate structure, a Te square-net with an identity crisis, and superconductivity that must be squeezed out of it..https://t.co/fzI4tUGX2a

[Wolverton Research Group 💻 @___WRG___]

Exciting news!
We will be working on a new project supported by @ENERGY INCITE grant and @argonne to perform high-throughput calculations of materials properties at high temperatures!
➡️ Check out the announcement below!
https://t.co/voYb96jDsl

Cover design by @shimajiro_III

[Chemistry of Materials @ChemMater]

Li3Sb7Se12: A Pavonite Homologue with Ultralow Thermal Conductivity

By @MercouriK et al. @NorthwesternU

Read the paper 👉 https://t.co/38ZXkn9IQh

[Chemistry of Materials @ChemMater]

Lithium Transport in Crystalline and Amorphous Cathode Coatings for Li-Ion Batteries

By @ChrisWolverton1 et al. @NorthwesternU

Read the paper 👉 https://t.co/58YyJGVZss

[Trienens Institute for Sustainability and Energy @TrienensInst]

We're celebrating all @TrienensInst Faculty Affiliates who were named @Clarivate Highly Cited Researchers!

@ProfDravid @tedsargentNU_TO @ChrisWolverton1 @snyder @OmarFarha5 @MercouriK

[Wolverton Research Group 💻 @___WRG___]

Congrats to Prof. Wolverton for being named one of Clarivate's 'Highly Cited Researchers this year!
read more: https://t.co/2eVQWS6YSg
@ChrisWolverton1

[Northwestern Engineering @NorthwesternEng]

Supported by an @ENERGY INCITE grant, Professor @ChrisWolverton1 will collaborate with @argonne to perform high-throughput calculations of thousands of materials properties at finite temperature. https://t.co/V85FvHOIwn

[Northwestern Chemistry @NUChemistry]

This week the #NUChemistry faculty celebrated @MercouriK's remarkable career at the Kanatzidis International Symposium on Materials/Solid State Chemistry & #Nanoscience in Crete! 🇬🇷🧪

#FacultyExcellence #Chemistry

[Mercouri Kanatzidis @MercouriK]

Amazing symposium and celebration in Crete this week! SIPS2024...

[Wolverton Research Group 💻 @___WRG___]

Thrilled to share our collaborative work with @IyerAbishek and @MercouriK on Li₃Sb₇Se₁₂, a new ternary pavonite, published in @ChemMater! Ultralow thermal conductivity (0.53–0.37 W/mK) due to Sb's unique bonding environment 🔥👩‍🔬 #DFT

https://t.co/9wVl5RqBXN