@SmitBerend

Director of the Laboratory of molecular simulation (LSMO), Ecole Polytechnique Fédérale de Lausanne (EPFL) and University of California, Berkeley

epfl.ch/labs/lsmo/
Joined December 2018
  • Tweets223
  • Following158
  • Followers2.1K
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Photographic evidence that the 3rd edition of Understanding Molecular Simulation is out! The book can be obtained from the Elsevier website tinyurl.com/ezmpvjya, and with the promo code “CHEM30” one can get a 30% reduction. The online version: dx.doi.org/10.1016/C2009-0-6…
The authors are trying to show off their understanding of molecular simulation.

ALT The authors are trying to show off their understanding of molecular simulation.

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From atomistic modeling to power plants and environmental assessment of carbon capture with MOFs. Check it out here: doi.org/10.1038/s41586-024-0… Congratulations to this incredible team!

A holistic platform for accelerating sorbent-based carbon capture

Nature - A framework that integrates materials, process design, techno-economics and life-cycle assessment can be used to accelerate the development of carbon-capture technology as we aim for a...

nature.com
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Out now in @Nature: a collaborative Article from @sgarclopez, @SmitBerend, and many other co-workers presents a platform that integrates materials, process design, TEA and LCA to identify leading sorbent-based materials for carbon capture. Link here (OA): nature.com/articles/s41586-0…

A holistic platform for accelerating sorbent-based carbon capture

Nature - A framework that integrates materials, process design, techno-economics and life-cycle assessment can be used to accelerate the development of carbon-capture technology as we aim for a...

nature.com
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📢Starting with a DFT calculation on a MOF, and years of work with an incredible team, we can now predict how much #CO2 this MOF can capture over a plant’s lifetime and at what net cost. Excited to share our findings in @Nature nature.com/articles/s41586-0… @HWU_RCCS @HeriotWattUni

A holistic platform for accelerating sorbent-based carbon capture

Nature - A framework that integrates materials, process design, techno-economics and life-cycle assessment can be used to accelerate the development of carbon-capture technology as we aim for a...

nature.com
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Excited about our just-out Nature article! 🌟 A standout: a machine learning study where we used net-carbon avoidance cost to identify top-performing materials. Started with 20, #MachineLearning added 135 more, boosting commercialization chances! doi.org/10.1038/s41586-024-0…
The PrISMa platform to evaluate MOFs for carbon capture.

ALT The PrISMa platform to evaluate MOFs for carbon capture.

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I am honored to announce my election as a foreign member of the Royal Netherlands Academy of Arts and Sciences (KNAW). This honor was made possible because of exceptional PhD students, postdocs, and colleagues. I am deeply grateful to all of them! knaw.nl/nieuws/knaw-kiest-17…
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This news feature in Nature highlights the work @MoosaviSMohamad on capturing chemical intuition by (machine) learning from failed and partially successful experiments. ‘the ugly side of science’: fresh incentives for reporting negative results nature.com/articles/d41586-0…

Illuminating ‘the ugly side of science’: fresh incentives for reporting negative results

Nature - New data repositories and alternative journals and workshops offer routes for sharing negative results — which could help to solve the reproducibility crisis and give machine learning a...

nature.com
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We still have a few places left in our @cecamEvents workshop on LLMs for materials, molecules and beyond in beautiful Lausanne (July 9 - July 12). cecam.org/workshop-details/l…
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Please share/apply 🔊 #PhD and #Master opportunities in our team to work on #AI/ #ML for molecule/materials discovery! Application by writing me an email (contact information: chem-eng.utoronto.ca/faculty…)
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Large-language models will change #CHEMISTRY. See 15+ examples of answers to chemical questions. What is common to those: @kmjablonka et al have near zero knowledge but we could fine-tune #GPT3 to get models that do better than the state of the art. rdcu.be/dxZ3x
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Berend Smit retweeted
Eric Topol
@EricTopol7 Feb 2024
Better chemistry with #AI nature.com/articles/s42256-0… Prediction, that is, with GPT 3 @NatMachIntell @SmitBerend @kmjablonka @jablonkagroup @UniJena @pschwllr @EPFL
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Happy to announce our new publication applying geometrical\topological methods to material sciences (batteries): *Predicting Ion Diffusion from the Shape of Potential Energy Landscapes* pubs.acs.org/doi/10.1021/acs……… +Hannes Gustafsson, Melania Kozdra, @SmitBerend, and Amber Mace

Predicting Ion Diffusion from the Shape of Potential Energy Landscapes

Abstract. We present an efficient method to compute diffusion coefficients of multiparticle systems with strong interactions directly from the geometry and

pubs.acs.org
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Congratulations @kmjablonka !
EPFL Research Office@EPFL_ReO23 Nov 2023
👏 Congratulations to Agnieszka Chryplewicz and @kmjablonka for each receiving a Chorafas Foundation Award! @EPFL_en #ForumRolex #ResearchDoctoralAwardsCeremony @epflSV @epflSB
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This is a massively collaborative work. Would not have been possible without all the hackathon participants and organizers - especially @BenBlaiszik who spearheaded the organization.
Digital Discovery@digital_rsc19 Sep 2023
Replying to @kmjablonka
@kmjablonka (@jablonkagroup) introduces our next article: "ChatGPT is on everyone's mind. But what can it really do for chemistry? Read the results from a hackathon focussed on exploring the applications of LLMs in chemistry and materials science." doi.org/10.1039/D3DD00113J
An illustration of a chemical laboratory, with a computer in the middle that reads "LLM"

ALT An illustration of a chemical laboratory, with a computer in the middle that reads "LLM"

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Some blatant self-promotion; the Swiss Science Foundation has awarded me their (surrogate ERC) Advanced Grant. The project is called “Big Data in Nanoporous Materials: Science beyond Understanding ” 1/3 actu.epfl.ch/news/three-sb-p…

Three SB professors awarded SNSF Advanced Grants

Professors Beat Fierz, Tobias J. Kippenberg, and Berend Smit at EPFL’s School of Basic Sciences have been awarded Advanced Grants from the Swiss National Science Foundation.

actu.epfl.ch
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This grant came as a surprise. At the end of the interview in the second round, one of the Chemists on the panel mentioned: “I don’t believe that what you propose can be done.” At that moment, I was absolutely sure that my changes had dropped, most likely below zero. 2/4
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I am humbled that the panel nevertheless trusted me to show it can be done! I am happy to take up that challenge and show the science beyond our understanding. 3/3
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Thanks, @MartinVetterli, and even more thanks to all current and former group members and collaborators; without them, I would be scienceless!
Martin Vetterli@MartinVetterli18 Aug 2023
Proud to work with @Beatfierz, @SmitBerend, Tobias Kippenberg, and their teams who just received Advanced Grants from the @snsf_ch!
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Now out in @digital_rsc! 14 case studies on how LLMs can be used in chemistry, materials science, and beyond!
Kevin M Jablonka@kmjablonka13 Jun 2023
It's a warp! - 53 authors - 14 projects after 1.5 days of hackathon. With this paper, we have a full bouquet of examples of how LLMs can impact chemistry, materials science, and beyond. arxiv.org/abs/2306.06283 #llmhack #llm #chemtwitter
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Digital Discovery Issue 4 is now online and #openaccess! pubs.rsc.org/en/journals/jou… Inside cover: Gil, Smit et al., “Biomass to energy: a machine learning model for optimum gasification pathways” Read: doi.org/10.1039/D3DD00079F
The inside cover of Digital Discovery issue 4. A wooden robot examines leaves

ALT The inside cover of Digital Discovery issue 4. A wooden robot examines leaves

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