@NorthwesternU CompMat Group | Home of @TheOQMD | 🔬 High-throughput DFT, machine learning | Driven by discovery, powered by code 💻
#Materials_Sciencesites.google.com/site/wolverton… 2145 Sheridan Rd, Evanston, ILJoined October 2024
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
👂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. bit.ly/3LjHNyc
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👉 nature.com/articles/s4152…
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@NorthwesternUpubs.acs.org/doi/10.1021/ja…
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:advanced.onlinelibrary.wiley.com/doi/10.1002/ae…
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: doi.org/10.1103/PhysRe…
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! 👏🥳
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..pubs.acs.org/doi/abs/10.102…
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!
alcf.anl.gov/science/projec…
Cover design by @shimajiro_III
Fifteen McCormick faculty members were named in the #HighlyCited2024 list by Clarivate, which identifies researchers who demonstrated significant influence through the publication of multiple highly cited papers during the last decade.
spr.ly/6013sxRX9
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 🔥👩🔬 #DFTpubs.acs.org/doi/full/10.10…
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