Cooperation of @HITStudies, @UniHeidelberg & @KITKarlsruhe on bridging scales from molecules to molecular materials by multiscale simulation & #machinelearning
Joined October 2021
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SIMPLAIX retweeted
In time for rose blooming season, the HITS newsletter “The Charts” 02/2024 has arrived with highlights from the molecular biomechanics of collagen and the complexity of avian evolution. Curious to find out more? Find the online version here: h-its.org/2024/06/10/newslet…
SIMPLAIX retweeted
Really excited to be at #CCSC2024! Looking forward to a great week of talks and discussions about exploring the chemical compound space!
Professor Pascal Friederich @P_Friederich
from the Karlsruher Institut für Technologie stance on multi-explanation graph attention network for the last presentation before lunch break #CCSC2024
SIMPLAIX retweeted
Lots of exciting science being discussed at the @simplaix workshop on ML for molecular modelling. Having a great time in Heidelberg!
Our @simplaix Workshop 2024 on #machinelearning for multiscale molecular modeling is in full swing. Around 100 participants are attending the conference this year and the atmosphere is great. And even the weather plays along…
SIMPLAIX retweeted
Very proud of @chemwedding @StivLlenga and Gregor Lauter representing the group at the @simplaix workshop on #ml #multiscale #compchem today @HITStudies !
SIMPLAIX retweeted
#simplaix_ml3m on #machinelearning for multiscale molecular modeling is coming to an end. We wish you a great weekend, and all participants of the @SIMPLAIX workshop a safe trip home!
SIMPLAIX retweeted
Publication by Cluster Members Matthias Brosz, Tobias Abele, Frauke Gräter, Kerstin Göpfrich, and Camilo Aponte-Santamaría addresses the interaction of photoresists with lipid membranes. 👉doi.org/10.1002/adfm.2023157… @ToAbele @graeter_mbm @KGoepfrich @camiloapontelab #Bioprinting
SIMPLAIX retweeted
Super thrilled about this! #COMPCHEM opportunity at our new startup Quastify doing physics based #machinelearning for atomistic simulation! Please come join us at quastify.com or retweet!
🚨 #Job #DeepTech
We are actively looking for a #MachineLearning #Scientist with expertise in developing and using data-driven models, numerical #CompChem proficiency, and strong coding skills.
Reach out now:
quastify.com/jobs/
#rt appreciated
SIMPLAIX retweeted
Thanks to our colloquium speaker Michele Parrinello (
@IITalk Genova, Italy) for his splendid talk on the physics of catalysis. The talk will soon be available on the HITS YouTube channel – stay tuned! #machinelearning @simplaix @GroupParrinello
SIMPLAIX retweeted
Congratulations to @HITStudies scientists doing real interdisciplinary research ! #thinkbeyondthelimits
From proteins to stars🌟: Forecasting stellar evolution by emulation, with Kai of our group as co-author. 🤩 Premiere for @graeter_mbm to contribute (a bit) to solving a problem in astrophysics
aanda.org/articles/aa/full_h…
Made possible by HITS Lab and @ktstiftung
SIMPLAIX retweeted
A "behind the paper" piece by @Rebecca_Wade_C et al: Towards a molecular simulation-driven approach to polymer selection for drug formulation chemistrycommunity.nature.co…
SIMPLAIX retweeted
#Chemistry, #reactions, and #MachineLearning: HITS/#SIMPLAIX Colloquium talk by @fjduarteg from @UniofOxford on exploring chemical reactivity in the age of automation and ML is on #YouTube now: youtu.be/5P_-VSZSKkI?si=GTuU… #compchem @grynova_CCC @simplaix
SIMPLAIX retweeted
#ChatGPT and its ilk: HITS Journalist in Residence @anilananth on the rise of large language models and why we should care. This is the video of Anils public talk at the #MAINS, #Heidelberg, in collaboration with @HLForum . Now on #YouTube: youtu.be/gL4cquObnbE
SIMPLAIX retweeted
Tipp für Raum #Heidelberg: 'ChatGPT & Co" - über große Sprachmodelle und ihre Auswirkungen auf uns alle spricht unser Journalist in Residence @anilananth am 5. Juli um 19:00 in der MAINS (on-site, kein Streaming). Mehr dazu hier: ow.ly/noxk50P1bhI @HLForum @ktstiftung
SIMPLAIX retweeted
Interested in self-driving labs, automation & machine learning for energy materials? Apply for our #SummerSchool in Karlsruhe, 18-22 Sept!
Registration, speakers, and more information: gcmac.de/event/summer-school…
Apply soon: Early bird registration until July 20!
Please share!
SIMPLAIX retweeted
If you are in the #Heidelberg area next week, don't miss our Journalist in Residence @anilananth talking on #ChatGPT and its ilk - 5 July, 7 pm. Organized together with @HLForum, in the "MAINS" near main station. #MachineLearning h-its.org/event/chatgpt-and-…
SIMPLAIX retweeted
The HITS Colloquium talk by out Klaus Tschira Guest Professor @olexandr from @CarnegieMellon on #MachineLearning in #chemistry is on our YouTube channel now: ow.ly/sPCi50OOlsu @ktstiftung
SIMPLAIX retweeted
@olexandr: "Have I observed our AI models being creative? Yes, so far three times already!" Many thanks, for the stimulating talk and discussions, today and while staying with us at @HITStudies as Klaus Tschira Guest Professor!
Thanks @olexandr for your splendid talk on #MachineLearning in #Biology & #chemistry - moderated by @AstroInformatix . Q&A with @graeter_mbm & @Rebecca_Wade_C The video of his talk will soon be on our #YouTube channel - stay tuned!
SIMPLAIX retweeted
Today, 11 am , online and on-site: Klaus Tschira Guest Professor @olexandr
from @CarnegieMellon on latest developments of #MachineLearning & #AI methods in #molecular discovery #materials design. Zoom link here: ow.ly/xlUX50OM3pn #chemistry @ktstiftung
SIMPLAIX retweeted
Today, @olexandr talked at our lab meeting. Tomorrow, however, he will talk to you - on accelerating design of organic #materials with #MachineLearning and #AI - Tue, 13 June, 11 am. Register here: h-its.org/event/colloquium-o… @grynova_CCC
