Steven Bennett @stevenkbennett
Computational chemistry researcher at Orbital Materials | PhD from @ImperialCollege | Using 💻 to design new porous materials. (he/him) Joined January 2014-
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Very happy to share my first first author paper and also #MyFirstChemSci as @ChemicalScience pick of the week! Huge thanks to everyone involved!!
Very happy to share my first first author paper and also #MyFirstChemSci as @ChemicalScience pick of the week! Huge thanks to everyone involved!!
Big congratulations to @AnnabelBasford for her first first author paper just accepted and available as an accepted article online in @ChemicalScience 🎉 pubs.rsc.org/en/content/art…
My first first-author paper at @PoliTOnews in @LabPavan is on @ChemRxiv doi.org/10.26434/chemr… With my excellent co-authors, @EmmaWolpert, @JelfsChem and @pamara54, we introduce minimal models of cages to study topology selection as a function of key building block parameters.
See our highlight of Tao Li and coworkers' recent discovery of permanent macroporosity in a liquid, great study pushing the limit of what is possible in these materials @BeckyLGreenaway onlinelibrary.wiley.com/doi/10.1002/an…
DigiFAB's 2023 Hackathon is well under way. This year it is focused on using large language models for chemistry, and this morning's focus is on building models for retrosynthesis prediction
Congratulations to the new Dr. Bennett (@stevenkbennett) who passed his PhD viva today. Co-supervised by @BeckyLGreenaway, Steven started on 💻 then moved to 🤖🧪👨🔬
Congratulations to the new Dr Irene Bechis @irenebechis, who passed her viva today 🎉🎉🎉 Thanks to @fxcoudert and @BresmeF for examining.
Great to see this work finally out and available as an advance article in Chem Commun! Massive congratulations to Rachel Kearsey and to all involved @andrew_tarzia @MikeBrand94 @m_a_little @JelfsChem @aicooper pubs.rsc.org/en/content/art…
Its a paper of firsts: #MyFirstChemSci, my first 1st author paper with @JelfsChem, and my first corresponding author paper! I love this project and I'm so excited to see it out in @ChemicalScience. Thanks Kim for believing in my crazy half baked ideas! tinyurl.com/5xr7d8k9
Well - it's totally SOLD OUT. No more spaces for Data Driven Materials Design - with @taylordsparks @stevenkbennett @Zhenzhu__Li @_lantunes @agsquires in @DERI_QMUL - but luckily it will be streaming live too - sign up here: qmul-ac-uk.zoom.us/meeting/regist…
Come join us at the Data Science Industry Showcase!
Very happy to see part of my PhD work with @JelfsChem out in @ChemMater ! Check it out if you're interested in defects and disorder in MOFs. The work is in collaboration with @adamsapnik @andrew_tarzia @EmmaWolpert @MattAddicoat @d_a_keen @ThomasDBennett
Very happy to see part of my PhD work with @JelfsChem out in @ChemMater ! Check it out if you're interested in defects and disorder in MOFs. The work is in collaboration with @adamsapnik @andrew_tarzia @EmmaWolpert @MattAddicoat @d_a_keen @ThomasDBennett
Great start to the week with our new Perspective out in @J_A_C_S - on how computation can help explore uncharted material space. Fun team effort on this one with @austin_mroz @victor_posligua @andrew_tarzia and @EmmaWolpert 🚀👩🔬
Great start to the week with our new Perspective out in @J_A_C_S - on how computation can help explore uncharted material space. Fun team effort on this one with @austin_mroz @victor_posligua @andrew_tarzia and @EmmaWolpert 🚀👩🔬
Really enjoyed my internship at @AccentureUK working on machine learning for drug discovery as part of the Turing Institute! My blog post is now live about the experience: accenture.com/gb-en/blogs/bl…
My first paper with @JelfsChem is now up on ChemRxiv! If you’re interested in how coarse-graining can be used as a computationally inexpensive method to predict the organic solid-state and develop design rules then give it a read: doi.org/10.26434/chemr…
If you want to hear more about it and are at ACS then come to my talk on Sunday at 11 in room S403a at the Advances in Crystal Structure Prediction & Crystal Engineering session
Group hike up the ski slopes at the GRC Crystal Engineering
Part of my PhD work with @chhendon is out in @ChemicalScience! We present a SWEET new method STREUSEL (🥧) for determining the size of chemical species from the electric field. Big thanks to Josh, Audrey & Jasper for their calculations! doi.org/10.1039/D2SC00…
A good way to close the week, my first first-author paper is now available on ChemRxiv 🥳🥳 Thank you to my supervisor @JelfsChem and all of our collaborators @adamsapnik @ThomasDBennett @andrew_tarzia @EmmaWolpert @MattAddicoat @d_a_keen doi.org/10.26434/chemr…
Andrew White crow/acc @andrewwhite01
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415 Followers 3 Following Will it be exchange, correlation, both or neither? Check back each day to find out! I am just a (functional) bot; my opinions are deterministic and unshakeable.Very excited to present SynFlowNet next week at @gembioworkshop #ICLR2024! We tackle the synthesisability issue in molecular design by training a GFlowNet with an action space of chemical reactions. Thanks to my coauthors @charlieharris01 @juleroy13 @folinoid and Pietro Lio (1/n)
Big congratulations to @RubyMorel1 for winning the people's choice award at the Imperial PhD and Postdoc photo competition 🎉
Thrilled to announce that for the coming two years, I'll be located at Oxford, collaborating with the @VLDGroupOx, thanks to @novonordiskfond's Postdoctoral Programme. Today, I spent some time in the Radcliffe Camera, an iconic place I've longed to explore. #PostdocAdventures
“Prediction of Diffusion Coefficient Through Machine Learning Based on Transition State Theory Descriptors”, by Emmanuel Ren, is our group's latest preprint! doi.org/10.26434/chemr… A short summary ⏬
Friday I had an incredible day defending my PhD. I am extremely grateful to everyone who supported me in person or online. Especially the committee @taylordsparks @GemmaCSolomon and Andrew Goodwin 🙏 What an amazing time I have had in @jensengroup_cph with @kirsten_mj 🕺💃
The group has grown 😱 First time all together for the annual team day as we welcome Liam as our group technician, Aiden and Alex for their PhDs on the React CDT, Yuntong for his final year MSci project, and Aulia, Mani, Suqin and Sean for their MRes projects!
In our next featured article, Jelfs et al. present Cage-VAE, a deep-learning generative model for targeted generation of shape-persistent porous organic cages. Read the full paper, #openaccess: doi.org/10.1039/D3DD00…
The last few months have been intense, but after a rejection today, I cheered myself up by doing some evening unpacking of the labs new toys 😍
Also very grateful for Disordered Materials XPress access @isisneutronmuon where @RubyMorel1 and @benjybenj have been back at it on NIMROD 👌
🌟Check out this awesome thread for some inspiration on how to use the OCP demo to accelerate your catalysis research! 🔬
A month back, we released the Open Catalyst demo, enabling adsorption energy calculations ~1000x faster than DFT using ML potentials: open-catalyst.metademolab.com Today we’re publishing two case studies of how the demo can accelerate research in catalyst discovery! 🧵
Since it's now official, happy to announce that I've been promoted to senior lecturer 😱
Do you have pair distribution function (PDF) data from polyoxometalate clusters (POMs) ? Try our new ML model that assists you to identify the structural model: @huggingface: huggingface.co/spaces/AndySAn… @ChemRxiv: doi.org/10.26434/chemr… 🧵 @kirsten_mj @EmilThyge @MJuelsholt
Generative AI 🤖and computational design for new molecules is used more and more in drug discovery. But these molecules are FAKE… at least, until they can be successfully made in the lab ⚗️ Our review discusses how to address with models: authors.elsevier.com/a/1hRK9_,2BdUy… 1/n
And the prizes keep on coming for @AnnabelBasford 🎉 Poster prizes for her poster in the Materials and Molecular Design and Energy theme as part of the PG symposium, and for her poster @RSC_MASC #ECRMASC! 😎 🍾
We published "Unbiasing Retrosynthesis Language Models with Disconnection Prompts" in @ACSCentSci paper: pubs.acs.org/doi/10.1021/ac… code: github.com/rxn4chemistry/… Let's dive in! #compchem #MachineLearning #Chemistry #chemtwitter @ForRxn
Thrilled to have passed my PhD viva with no corrections🎓 Massive thank you to my examiners @Cesiboy1 & Mark Lindsay for an insightful discussion! Immensely grateful to my supervisors @LouiseDResp @COPDUK @jrbaker88 for their help, support & guidance! @impchemistry @ImperialNHLI
Congratulations to @VanessaHo_ on passing her PhD viva @ImperialNHLI Thanks to @impchemistry @jrbaker @DevulderJustine @COPDUK for all your help and support
Congratulations to the new Dr. Bennett (@stevenkbennett) who passed his PhD viva today. Co-supervised by @BeckyLGreenaway, Steven started on 💻 then moved to 🤖🧪👨🔬
@JelfsChem @stevenkbennett @BeckyLGreenaway Congrats Dr. @stevenkbennett !
@JelfsChem @stevenkbennett @BeckyLGreenaway Congrats @stevenkbennett ! 🥰🥰
@JelfsChem @stevenkbennett @BeckyLGreenaway Congratulations Steven!