Nathan Szymanski @NJSzymanski

Postdoctoral researcher at @UMNCSE in the group of @ChrisJBartel working on computational materials design. Incoming professor at @UCLA Materials Science. njszym.github.io Joined September 2013

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Nathan Szymanski @NJSzymanski

4 months ago

New paper out in @ACSPublications introducing some topological descriptors of electron density for inorganic materials! We hope these can supplement existing descriptors like Bader charges and serve as compact inputs for machine learning doi.org/10.1021/acsmat…

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Bharat Jalan @JalanMbeLab

8 months ago

Just published in @NanoLetters In close collaboration with Chris Bartel's group, We reveal growth mechanisms of rutile GeO₂ and (Sn,Ge)O2 films via hybrid MBE. #WideBandgapSemiconductors #HighPowerDevices @NSF @AFOSR @UMNCSE pubs.acs.org/doi/epdf/10.10…

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Nathan Szymanski @NJSzymanski

a year ago

Some new work from Shilong Wang in the @cedergroup on a method for efficient and acid-free extraction of Li from spodumene, a common mineral used in battery manufacturing - happy to be a part of this! pubs.acs.org/doi/10.1021/ac…

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Yuxing Fei @yuxing_fei

a year ago

🚨 Preprint Alert 🚨 How to manage experiment workflows in an autonomous lab just like managing computational workflows? We proposed a general framework to manage devices and experiments in the lab, with human-in-the-loop feature built in. arxiv.org/abs/2405.13930

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Nathan Szymanski @NJSzymanski

a year ago

New perspective out in @ACSEnergyLett where @ChrisJBartel and I share our thoughts on how computations have and will continue to play a role in guiding the synthesis of battery materials. Check it out! doi.org/10.1021/acsene…

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Yan Zeng @YanHelenZENG

2 years ago

Check out our latest work on Selective formation of metastable polymorphs in solid-state synthesis | Science Advances science.org/doi/10.1126/sc… We introduce a framework that uses both reaction energy and surface energy for effective polymorph selection. @NJSzymanski @cedergroup

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Ceder Group @cedergroup

2 years ago

Joining the A-Lab conversation: linkedin.com/feed/update/ur…

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Nathan Szymanski @NJSzymanski

2 years ago

Our method to automate the optimization of solid-state synthesis is out now in @NatureComms! It uses DFT data but also learns from experiments to find the best precursors for a given material. We hope this can help guide future autonomous platforms 🤖 😃 nature.com/articles/s4146…

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Nathan Szymanski @NJSzymanski

2 years ago

Short-range order plays an important role in the performance of DRX cathodes 🔋 check out our latest work in @ChemMater where we show how pair distribution function data can be used to study this property! Thanks to @Bin_Ouyang_CMS and @ChrisJBartel pubs.acs.org/doi/10.1021/ac…

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Nathan Szymanski @NJSzymanski

2 years ago

Happy to be a part of this work! Check it out if you're interested in using neural networks to analyze data from XRD, NMR, or Raman spectroscopy 🔬

Jan Schuetzke @jschuetzke

2 years ago

Happy to be a part of this work! Check it out if you're interested in using neural networks to analyze data from XRD, NMR, or Raman spectroscopy 🔬

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Nathan Szymanski @NJSzymanski

3 years ago

Excited to share our recent work in @Nature_NPJ, where we show that machine learning can be used to "drive" XRD measurements and identify phases in real time! Thanks to @ChrisJBartel @YanHelenZENG @delmouha nature.com/articles/s4152…

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Nathan Szymanski @NJSzymanski

3 years ago

For those interested in synthesis science and DRX cathodes, check out our latest article in @ChemMater showing several factors that govern fluorination. Big thanks to all the great collaborators! @YanHelenZENG @cedergroup @ChrisJBartel @ClementGroupSB pubs.acs.org/doi/10.1021/ac…

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Jan Schuetzke @jschuetzke

3 years ago

We present a synthetic dataset generator to benchmark machine learning models on spectroscopic data. Spoiler: No neural network model we tested achieved a perfect accuracy. Manuscript: arxiv.org/abs/2206.06031 Code: github.com/jschuetzke/syn…

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Nathan Szymanski @NJSzymanski

4 years ago

Happy to share our recent work in @ChemMater on automating phase identification for XRD spectra with a probabilistic CNN! Thanks to @cedergroup @ChrisJBartel Code: github.com/njszym/XRD-Aut… Paper: pubs.acs.org/doi/abs/10.102…

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Nathan Szymanski @NJSzymanski

4 years ago

Check out our review on autonomous experimentation for novel inorganic materials synthesis, now published in @MaterHoriz! @cedergroup @ChrisJBartel @BerkeleyLab pubs.rsc.org/en/Content/Art…