Cooperation of @HITStudies, @UniHeidelberg & @KITKarlsruhe on bridging scales from molecules to molecular materials by multiscale simulation & #machinelearning
Joined October 2021
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Dear followers,
As of today, we will cease all activity on X. This applies to both our profiles HITStudies and SIMPLAIX. In future, we'll be sharing our news and events on BlueSky and we hope you will join us there at simplaix.bsky.social.
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
Registration for #simplaix_ml3m is open now! @HITStudies @KITKarlsruhe @UniHeidelberg #MachineLearning #lifescience #materials
Registration for the 2nd SIMPLAIX Workshop on Machine Learning for Multiscale Molecular Modeling (15-17 May 2024) is now open!
Learn more about the workshop here: simplaix-workshop2024.h-its.… Register here: simplaix-workshop2024.h-its.…
We look forward to seeing you there! 😊
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…
Pictures from the @HITStudies / #SIMPLAIX colloquium today - @vl_deringer talking on #MachineLearning advances in anorganic #materials h-its.org/event/hits-simplai… @grynova_CCC
Thanks a lot to @vl_deringer from @UniofOxford for his fantastic HITS #SIMPLAIX talk on #MachineLearning potentials, ML-driven #simulations & new insights into the structure of amorphous #materials , hosted by @grynova_CCC #compchem @simplaix - video coming soon, stay tuned!
Interested in #MachineLearning and #disordered #materials? Register for the next @HITStudies / @simplaix colloquium (hybrid) with @vl_deringer @UniofOxford on 23 October 2023, 11 am CEST: h-its.org/event/hits-simplai… #compchem @grynova_CCC #SIMPLAIX
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
Thank you, @fjduarteg, from the whole @simplaix team for being here and giving the joint @HITStudies colloquium talk! @Rebecca_Wade_C @graeter_mbm
Thanks a lot to @fjduarteg from @UniofOxford for her splendid HITS / @simplaix colloquium on chemical reactivity in the age of automation and #machinelearning, hosted by @grynova_CCC . The video will be soon on our #YouTube channel - stay tuned! @duarte_group #compchem
Congratulations, dear @P_Friederich, for enlarging our @SIMPLAIX network by joining the @Cluster3DMM2O !
Thank you very much, @Cluster3DMM2O! I am looking forward to being part of the cluster and working with you all!
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
