SIMPLAIX

Cooperation of @HITStudies, @UniHeidelberg & @KITKarlsruhe on bridging scales from molecules to molecular materials by multiscale simulation & #machinelearning

[SIMPLAIX @simplaix]

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 https://t.co/AtT4fZhwAL.

[HITS @HITStudies]

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: https://t.co/1KqgD40CuZ

[CCSC2024 @CCSC2024]

A busy and inspiring week of #chemical #compound space exploration is over! Big thanks to co-organisers, student helpers, speakers, poster presenters, participants, sponsors... and see you in 2 years!

[Pascal Friederich @P_Friederich]

Really excited to be at #CCSC2024! Looking forward to a great week of talks and discussions about exploring the chemical compound space!

[Matteo Degiacomi @MatteoDegiacomi]

Lots of exciting science being discussed at the @simplaix workshop on ML for molecular modelling. Having a great time in Heidelberg!

[Ganna (Anya) Gryn’ova 🇺🇦 @grynova_CCC]

Very proud of @chemwedding @StivLlenga and Gregor Lauter representing the group at the @simplaix workshop on #ml #multiscale #compchem today @HITStudies !

[HITS @HITStudies]

#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!

[3D Matter Made to Order @Cluster3DMM2O]

Publication by Cluster Members Matthias Brosz, Tobias Abele, Frauke Gräter, Kerstin Göpfrich, and Camilo Aponte-Santamaría addresses the interaction of photoresists with lipid membranes. 👉https://t.co/DUhS4WJFlM @ToAbele @graeter_mbm @KGoepfrich @camiloapontelab #Bioprinting

[Anatole von Lilienfeld @ProfvLilienfeld]

Super thrilled about this! #COMPCHEM opportunity at our new startup Quastify doing physics based #machinelearning for atomistic simulation! Please come join us at https://t.co/5tjEbE56N6 or retweet!

[HITS @HITStudies]

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 @simplaix]

Registration for #simplaix_ml3m is open now! @HITStudies @KITKarlsruhe @UniHeidelberg #MachineLearning #lifescience #materials

[HITS @HITStudies]

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: https://t.co/aC2p7cdKIM Register here: https://t.co/wts6oP0Vlk

We look forward to seeing you there! 😊

[HITS @HITStudies]

Congratulations to @HITStudies scientists doing real interdisciplinary research ! #thinkbeyondthelimits

[HITS @HITStudies]

A "behind the paper" piece by @Rebecca_Wade_C et al: Towards a molecular simulation-driven approach to polymer selection for drug formulation https://t.co/uM8NtEfnbe

[SIMPLAIX @simplaix]

Pictures from the @HITStudies / #SIMPLAIX colloquium today - @vl_deringer talking on #MachineLearning advances in anorganic #materials https://t.co/TMCP6PuyCb @grynova_CCC

[HITS @HITStudies]

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!

[SIMPLAIX @simplaix]

#compchem #SIMPLAIX @grynova_CCC

[HITS @HITStudies]

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: https://t.co/9uNi87mjrL #compchem @grynova_CCC #SIMPLAIX

[HITS @HITStudies]

#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: https://t.co/ga56dYACBA #compchem @grynova_CCC @simplaix

[SIMPLAIX @simplaix]

Thank you, @fjduarteg, from the whole @simplaix team for being here and giving the joint @HITStudies colloquium talk! @Rebecca_Wade_C @graeter_mbm

[HITS @HITStudies]

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

[SIMPLAIX @simplaix]

Congratulations, dear @P_Friederich, for enlarging our @SIMPLAIX network by joining the @Cluster3DMM2O !

[Pascal Friederich @P_Friederich]

Thank you very much, @Cluster3DMM2O! I am looking forward to being part of the cluster and working with you all!

[HITS @HITStudies]

#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: https://t.co/PS8UPmRlJJ

[HITS @HITStudies]

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: https://t.co/DSgZDo8o8G @HLForum @ktstiftung