Computational and Experimental Design of Emerging materials Research (CEDER) Group at @BerkeleyMSE & @BerkeleyLab
Berkeley, CA
Joined June 2016
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Ceder Group retweeted
The Materials Project is excited to announce MatPES, a quality-over-quantity r2SCAN and PBE dataset for training ML interatomic potentials! Huge thanks to our collabs at @materialsvrlab, the @cedergroup, and within MP!
arxiv.org/abs/2503.04070
🔬 Can halides be both affordable & high-performing for solid-state batteries? In @ACSEnergyLett, we show that Zr doping in Li₂MgCl₄ stabilizes cation disorder, boosting Li conductivity 100x! A key step toward cost-effective solid electrolytes. pubs.acs.org/doi/10.1021/acs…
🚀 How does LiMXCl₄ achieve record-breaking Li conductivity amongst halide conductors?
Published in @Matter_CP, our study uncovers a "soft cradle effect", where octahedral tilting enhances Li-ion mobility. Read more below 👇#SolidStateBatteries
cell.com/matter/fulltext/S25…
Can universal MLIPs handle complex atomic environments? 🤔 Our study uncovers systematic PES softening in M3GNet, CHGNet, & MACE-MP-0, linking it to biased pre-training datasets. 🌐 A path forward: better PES sampling! Read here 👇 nature.com/articles/s41524-0…
🚨 Another Exciting Paper! 🚨 We show how electrochemical pulsing accelerates the δ-phase transformation in Mn-rich DRX cathodes, boosting capacity, rate, & cycling stability! 🔋 Read it here 👇onlinelibrary.wiley.com/doi/…
🚨 New Paper Alert! 🚨
We investigate phase formation mechanisms in an over-stoichiometric rocksalt-type Li superionic conductor, achieving 1.45 mS/cm at RT via kinetic trapping & post-annealing! Read more below 👇onlinelibrary.wiley.com/doi/…
Uncovering a challenge for Li-NASICON in Li-air batteries! 💥 Our study reveals that water-induced alkalinity triggers phosphate dissolution, leading to bulk degradation. Congrats, Ben and Zhuohan!🔋🌧️ #LiAir Read the full paper here 👇onlinelibrary.wiley.com/doi/…
🚀 Just launched: AlabOS –a Python-based, reconfigurable workflow management framework for autonomous labs. 🧪🤖 Showcased in A-Lab with 3500+ samples synthesized in 1.5 years! 🌟 Great work by @yuxing_fei, @RendyBernardus, and @rekumar_! Read here: pubs.rsc.org/en/content/arti…
In another recent study, we screened nitride-based compounds for solid electrolytes with better stability, finding LiPN2 and Li2CN2. While challenges remain, these materials show promise for anode-side separators. Check out the publication here 👇 iopscience.iop.org/article/1…
Excited to share our new paper in @NatureNano! 🔋 We explore manganese-based Li-ion cathodes, showing how heat treatment creates a nanostructure that boosts rate performance and discharge capacity. Check out the publication 👇nature.com/articles/s41565-0…
💡 What makes a material a good Li-ion conductor? Our latest review paper in Nature Reviews Materials details the design principles that drive fast Li-ion diffusion in inorganic, crystalline structures. Check out the publication 👇 nature.com/articles/s41578-0…
Li2CO3 is a critical precursor for cathode synthesis which we show can be extracted directly from α-spodumene through solid-state reactions with Na2CO3 and Al2O3. Check the publication 👇
pubs.acs.org/doi/10.1021/acs…
Ceder Group retweeted
Our latest work on understanding solid-state synthesis is out now in @ScienceAdvances where we use in-situ XRD to show that initial reaction products can (*sometimes*) be predicted using DFT-computed thermochemical data! doi.org/10.1126/sciadv.adp33…
Ceder Group retweeted
#OA article by Raphaele Clement group @ucsantabarbara
The Limited Incorporation and Role of Fluorine in Mn-rich Disordered Rocksalt Cathodes | ACS Energy Letters pubs.acs.org/doi/10.1021/acs…
Ceder Group retweeted
I'm elated to be joining @GTChBE and @GeorgiaTech in Jan. 2025! My group will focus on electrochemical interfaces and battery recycling. We'll be looking for inspired individuals, with deep commitments to climate change & sustainability, to join us in tackling these challenges.
Great insights from @zhongpc et al. on cation disorder in halide superionic conductors using thermodynamic & kinetic modeling. A nice combo of Cluster Expansion + ML Potential! 💡 #SolidStateElectrolyte #AI4Material
Effect of Cation Disorder on Lithium Transport in Halide Superionic Conductors | ACS Energy Letters pubs.acs.org/doi/10.1021/acs…
Ceder Group retweeted
Why can cation disorder improve the ionic conductivity in solid-state electrolytes? Why is mechanochemical ball-milling typically required to introduce cation disorder, rather than solid-state heating? Check the insights from computational modeling 👇
pubs.acs.org/doi/full/10.102…
💡Why does fine-tuning work well with pre-trained universal MLIP? We benchmarked several uMLIPs and discovered a systematic PES softening effect, which suggests that a considerable fraction of errors can be efficiently corrected. Check the preprint. 👇
arxiv.org/abs/2405.07105
Ceder Group retweeted
Oxygen Transport through Amorphous Cathode Coatings in Solid-State #Batteries
By @KPatBerkeley @cedergroup et al. @UCBerkeley @BerkeleyLab
Read the paper 👉 go.acs.org/9cE
