Magdalena Lederbauer

PhD student @MIT Chemical Engineering & Computer Science
MSc ETH Chemistry @ETH_en
prev ML scientist @entalpicai

she/her

[Magdalena Lederbauer @maglederb]

@ZhijingJin What an awesome initiative, Zhijing! All the best for their work!

[Alexandre Duval @ADuvalinho]

📢@entalpic_ai is opening a new position: Material Scientist, ML for material synthesis prediction - to join our team in Paris ! The role involves bridging the gap between simulations and experimental data!

Please share this thread & reach out if you are interested

[LIAC at EPFL @SchwallerGroup]

🧵 Excellent showing from @SchwallerGroup at #NeurIPS2024!
Our team received multiple spotlight presentations and acceptances across key AI+Science workshops, showcasing cutting-edge work in AI for chemistry and materials science.

[Dr Yvonne Choo @yvonnechoo_sl]

Excited to share our Voices at Chem @CellPressNews on #ChemicalEducation in #DigitalChemistry! 🌟

Grateful to @chemFunMan (@ucddublin @ucdchemistry) @maglederb (@ETH_en) for the opportunity to write alongside others! 🌏

🔗Link: https://t.co/7F5BT2Omdb

[Ben Blaiszik @BenBlaiszik]

For those of you looking for a big helping of LLMs for Thanksgiving, here you go! 🤖🦃 (link in next post)

In this work, we release 34 examples (each with open code!) demonstrating applications of LLMs in materials science and chemistry across:
🔶molecular and material property prediction;
🔷molecular and material design;
🔶automation and novel software interfaces;
🔷enhanced scientific communication and education; 🔶research data management and automation;
🔷hypothesis generation and evaluation; and
🔶knowledge extraction and reasoning from scientific literature

[D-CHAB @ETH_DCHAB]

Congratulations to Marie Perrin @_MariePerrin and Victor Mougel @_Victor_Mougel on the @ETH_en #SparkAward 2024 for their amazing and pioneering method that enables rare earth elements to be efficiently recovered from electrical waste! Learn more 👇

https://t.co/pzsIKQ6ok5

[Magdalena Lederbauer @maglederb]

@Jaime_Chem @UZH_en @snsf_ch @NevadoLab Sincere congrats Jaime, I can’t wait to see/hear what you have planned 🤩!

[Magdalena Lederbauer @maglederb]

@chemFunMan @SenpaiLearn @ucddublin @ucdscience @ucdchemistry @UCD_Research Congratulations, Fun Man! Looking forward to the future of you and your group 🎉

[Philippe Schwaller (he/him) @pschwllr]

What a whirlwind the past month has been! From Switzerland to the UK to Spain, it's been a journey filled with scientific discourse, an important grant interview, and some lab achievements.

The month kicked off with the Swiss Chemical Society (SCS) fall meeting, where I'm proud to say our team member Jeff (@JeffGuo__) received the best presentation award.

From there, I headed to the Spiez Convergence (Spiez Laboratory), a unique experience where I engaged with a multidisciplinary group of experts to discuss the latest advancements in chemistry and biology, their potential applications, and implications for arms control and international security.

The next stop was Oxford for the Faraday Discussion (Fernanda Duarte, Volker Deringer), where I had the honor of chairing some sessions. A highlight was seeing our project student Magdalena (@maglederb) win a best poster award (for a project done with Andres (@drecmb))!

The following week brought a different kind of challenge as I interviewed for my SNSF starting grant - results will be out in November, so fingers crossed!

The grand finale was the EuroQSAR in Barcelona, where I'm excited to share that I received the QCMS Hansch Award, alongside Sereina (@rinikerlab) - congrats! This award, named after Professor Corwin Hansch (considered the father of QSAR), is given to young scientists under 40 who have made significant contributions to the field of QSAR, chemoinformatics, and computational modeling.

I'm grateful for this recognition and excited for what the future holds in our research journey.

None of this would have been possible without the support of excellent mentors along the way and the fantastic team members in the Schwaller group at EPFL. Their guidance, collaboration, and dedication have been instrumental in these achievements.

#compchem #AI4Chemistry #ProudPI

[Magdalena Lederbauer @maglederb]

@arnie_hacker Congrats! Hopefully Swiss/Austrian and international talent as well ☺️

[Fernanda Duarte @fjduarteg]

It is a cold but sunny morning in Oxford; ready for Day 2 of the Faraday Discussion #FD_DATA meeting

[Marc Kielmann Bolten @henloeditorfren]

https://t.co/Ag0FLCZDUG

Editor's pick:
Catalysing (organo-)catalysis: Trends in the application of #MachineLearning to enantioselective #organocatalysis

By Frank Glorius @GloriusFrank , Kjell Jorner @kjelljorner & co-workers.

Just published diamond open access in #BJOC 🔓

[Magdalena Lederbauer @maglederb]

@maltefranke_ @SchwallerGroup @BreyLucien @XuHuang461675 This looks awesome (and less hot than here in 🇨🇭)!! Can’t wait to meet you soon there and catch up 😊

[youngSCS @youngSCS1]

Are you in one of these Swiss Universities/Institutes and Interested in being youngSCS Representative there?
DM us or send us an email on [email protected]
Come and join our family 😍🤩

[Magdalena Lederbauer @maglederb]

@JunwuChen25 @pschwllr @SchwallerGroup Congratulations! This has been such an interesting project, especially the attention score-colored surfaces! 💡

[Magdalena Lederbauer @maglederb]

@6ojaHa Awesome, congratulations! 🤩👏

[Magdalena Lederbauer @maglederb]

@gomobel Check out this phenomenal deal 😛

[Atinary Technologies Inc. @AtinaryTech]

In May, Atinary sponsored the "LLM Hackathon" at @EPFL_en .
Congrats to all participants! Shout out to GlossaGen & MC-Peptide for their winning projects! 🏆
🌍 At Atinary, we believe in supporting innovation in AI for a healthier, sustainable future.

#SelfDrivingLabs #SDLabs

[Magdalena Lederbauer @maglederb]

@_yesbut_ It always looks so easy on instagram 🤡

[Andres M Bran @drecmb]

Have you thought of the many implications of #LLMs in #Education 🤔? This is one big concern of the community since ChatGPT came out...

But there are also many good things, so in our new perspective, we discuss potential opportunities!👇👇

https://t.co/D515PiHBhr