#compchem — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #compchem, aggregated by home.social.
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4/n Vor allem das leichte #Headset und die mühelose Fähigkeit zu #Kommunikation und #Interaktion mehrerer Benutzer untereinander am selben Gerät fällt im Vergleich zu anderen Geräten positiv auf.
#MINT #STEM #Bioinformatik #CompChem #MolecularModeling #AR #VR #MR #Lehre #Schule #Rechenkraft #education #school #HessenHub
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1/n Gestern habe ich am Standort #Gießen der "Labs for Innovative Teaching — Network for Impactful Digital International Teaching Skills (#NIDIT)" das Rechenkraft.net #AugmentedReality Visualisierungssystem für molekulare Objekte (a.k.a. #HoloDeck) über mehr als drei Stunden zum Ausprobieren bereit gestellt.
#MINT #STEM #CitizenScience #Schule #AR #VR #Gamification #Game2Learn #TiltFive #Rechenkraft #CompChem #Bioinformatik #MolecularModeling #Proteine #Nukleinsäuren #DNA #RNA
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Am vergangenen Donnerstag (30.10.2025) wurde der zweite #HoloDeck-Kurs zur Visualisierung molekularer Objekte in #AugmentedReality an der #JLU #Gießen präsentiert.
#MINT #STEM #CitizenScience #Universität #Schule #AR #VR #MR #Gamification #Game2Learn #TiltFive #Rechenkraft #CompChem #Bioinformatik #MolecularModeling
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Am vergangenen Donnerstag (30.10.2025) wurde der zweite #HoloDeck-Kurs zur Visualisierung molekularer Objekte in #AugmentedReality an der #JLU #Gießen präsentiert.
#MINT #STEM #CitizenScience #Universität #Schule #AR #VR #MR #Gamification #Game2Learn #TiltFive #Rechenkraft #CompChem #Bioinformatik #MolecularModeling
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Am vergangenen Donnerstag (30.10.2025) wurde der zweite #HoloDeck-Kurs zur Visualisierung molekularer Objekte in #AugmentedReality an der #JLU #Gießen präsentiert.
#MINT #STEM #CitizenScience #Universität #Schule #AR #VR #MR #Gamification #Game2Learn #TiltFive #Rechenkraft #CompChem #Bioinformatik #MolecularModeling
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Am vergangenen Donnerstag (30.10.2025) wurde der zweite #HoloDeck-Kurs zur Visualisierung molekularer Objekte in #AugmentedReality an der #JLU #Gießen präsentiert.
#MINT #STEM #CitizenScience #Universität #Schule #AR #VR #MR #Gamification #Game2Learn #TiltFive #Rechenkraft #CompChem #Bioinformatik #MolecularModeling
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Am vergangenen Donnerstag (30.10.2025) wurde der zweite #HoloDeck-Kurs zur Visualisierung molekularer Objekte in #AugmentedReality an der #JLU #Gießen präsentiert.
#MINT #STEM #CitizenScience #Universität #Schule #AR #VR #MR #Gamification #Game2Learn #TiltFive #Rechenkraft #CompChem #Bioinformatik #MolecularModeling
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2/n: Unfortunately, since I was there alone this time, I had no time to make more photos while people were queuing up to play with #HoloDeck.
More information on the project:
HoloDeck #JLU / #HessenHub Course: https://www.uni-giessen.de/hessenhub/holodeck
HoloDeck Wiki: https://www.rechenkraft.net/wiki/HoloDeck#TiltFive #STEM #MINT #biology #chemistry #education #EDU #school #teacher #bioinformatics #CompChem #science #AI #KI
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2/n: Unfortunately, since I was there alone this time, I had no time to make more photos while people were queuing up to play with #HoloDeck.
More information on the project:
HoloDeck #JLU / #HessenHub Course: https://www.uni-giessen.de/hessenhub/holodeck
HoloDeck Wiki: https://www.rechenkraft.net/wiki/HoloDeck#TiltFive #STEM #MINT #biology #chemistry #education #EDU #school #teacher #bioinformatics #CompChem #science #AI #KI
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2/n: Unfortunately, since I was there alone this time, I had no time to make more photos while people were queuing up to play with #HoloDeck.
More information on the project:
HoloDeck #JLU / #HessenHub Course: https://www.uni-giessen.de/hessenhub/holodeck
HoloDeck Wiki: https://www.rechenkraft.net/wiki/HoloDeck#TiltFive #STEM #MINT #biology #chemistry #education #EDU #school #teacher #bioinformatics #CompChem #science #AI #KI
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2/n: Unfortunately, since I was there alone this time, I had no time to make more photos while people were queuing up to play with #HoloDeck.
More information on the project:
HoloDeck #JLU / #HessenHub Course: https://www.uni-giessen.de/hessenhub/holodeck
HoloDeck Wiki: https://www.rechenkraft.net/wiki/HoloDeck#TiltFive #STEM #MINT #biology #chemistry #education #EDU #school #teacher #bioinformatics #CompChem #science #AI #KI
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2/n: Unfortunately, since I was there alone this time, I had no time to make more photos while people were queuing up to play with #HoloDeck.
More information on the project:
HoloDeck #JLU / #HessenHub Course: https://www.uni-giessen.de/hessenhub/holodeck
HoloDeck Wiki: https://www.rechenkraft.net/wiki/HoloDeck#TiltFive #STEM #MINT #biology #chemistry #education #EDU #school #teacher #bioinformatics #CompChem #science #AI #KI
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UMA: A Family of Universal Models for Atoms
https://ai.meta.com/research/publications/uma-a-family-of-universal-models-for-atoms/family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and
generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest
training runs to date) by compiling data across multiple chemical domains, e.g. molecules, materials,
and catalysts.#ml #deepLearning #compChem #computational #chemistry #AImodels
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A few images from yesterdays first #HoloDeck presentation at Prof. Varshneys #lab at the #Indian Institute of #Science (#IISc) in #Bangalore (#India), where people enjoyed 'playing molecules'.
Holodeck, also known as the Rechenkraft.net #Molecular #AR Environment is our #OpenSource approach - based on the @tiltfive hardware - to visualize molecular #structures in #3D for #education & #research & #development purposes.
#DIYbio #instruments #bioinformatics #CompChem #AugmentedReality #STEM #MINT
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A few images from yesterdays first #HoloDeck presentation at Prof. Varshneys #lab at the #Indian Institute of #Science (#IISc) in #Bangalore (#India), where people enjoyed 'playing molecules'.
Holodeck, also known as the Rechenkraft.net #Molecular #AR Environment is our #OpenSource approach - based on the @tiltfive hardware - to visualize molecular #structures in #3D for #education & #research & #development purposes.
#DIYbio #instruments #bioinformatics #CompChem #AugmentedReality #STEM #MINT
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A few images from yesterdays first #HoloDeck presentation at Prof. Varshneys #lab at the #Indian Institute of #Science (#IISc) in #Bangalore (#India), where people enjoyed 'playing molecules'.
Holodeck, also known as the Rechenkraft.net #Molecular #AR Environment is our #OpenSource approach - based on the @tiltfive hardware - to visualize molecular #structures in #3D for #education & #research & #development purposes.
#DIYbio #instruments #bioinformatics #CompChem #AugmentedReality #STEM #MINT
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A few images from yesterdays first #HoloDeck presentation at Prof. Varshneys #lab at the #Indian Institute of #Science (#IISc) in #Bangalore (#India), where people enjoyed 'playing molecules'.
Holodeck, also known as the Rechenkraft.net #Molecular #AR Environment is our #OpenSource approach - based on the @tiltfive hardware - to visualize molecular #structures in #3D for #education & #research & #development purposes.
#DIYbio #instruments #bioinformatics #CompChem #AugmentedReality #STEM #MINT
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A few images from yesterdays first #HoloDeck presentation at Prof. Varshneys #lab at the #Indian Institute of #Science (#IISc) in #Bangalore (#India), where people enjoyed 'playing molecules'.
Holodeck, also known as the Rechenkraft.net #Molecular #AR Environment is our #OpenSource approach - based on the @tiltfive hardware - to visualize molecular #structures in #3D for #education & #research & #development purposes.
#DIYbio #instruments #bioinformatics #CompChem #AugmentedReality #STEM #MINT
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CW: Academic publishing
I have a new preprint to share: "Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics"! https://doi.org/10.26434/chemrxiv-2023-c8h70
A few years back, some colleagues and I were debating which density functionals to use to study hydrolysis reactions. We realized that while there were general benchmarks of reaction kinetics, none of them adequately covered water!
#preprint #chemistry #compchem #hydrolysis #water #reaction #dft
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New #preprint about PENSA, our flexible #OpenSource software package for comprehensive and thorough investigation of biomolecular conformational ensembles:
https://arxiv.org/abs/2212.02714
In three real-world examples, we show how it can be used to understand an #enzyme mechanism, #DNA #forcefield parameters, and #signaling in an #opioid #receptor.
Please share widely with the #MolecularDynamics #simulation #CompChem #MolBio #StructuralBiology #GPCR communities!
Feedback and ideas are always welcome. -
A new update on LMO cathodes from my #researcher Newsfeed this morning #oxygen #redox in #LiIonBatteries #cathode materials #compchem #battchat
Oxygen Vacancy Introduction to Increase the Capacity and Voltage Retention in Li‐Excess Cathode Materials https://onlinelibrary.wiley.com/doi/10.1002/sstr.202200343#.Y4Rh7M7spqk.twitter