science, computers, digitization, spaceflight, climate crisis // theoretical chemist 👨🔬 // computer enthusiast 👨💻 // founder of @shapeXT_com
Jena, Germany
Joined April 2017
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- Following480
- Followers482
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Michael Böhme retweeted
I am very pleased to announce that the demo version of shapeXT is now available. I have been working on this software for a long time. Following a closed beta phase over the summer and a first public presentation in September, it is now ready for everyone to try out. Enjoy! 😎👇
The first public demo of #shapeXT is out now! 🧪🎉
A rapid Vulkan-based 3D visualization tool for crystal structures, MOFs, complexes & CUBE files, plus CShM, PXRD, BVS, and VSA analysis. For Windows, macOS & Linux.
👉shapext.com/downloads/
#crystallography #chemistry #compchem
ALT The workspace and welcome screen of the shapeXT demo.
I am very pleased to announce that the demo version of shapeXT is now available. I have been working on this software for a long time. Following a closed beta phase over the summer and a first public presentation in September, it is now ready for everyone to try out. Enjoy! 😎👇
The first public demo of #shapeXT is out now! 🧪🎉
A rapid Vulkan-based 3D visualization tool for crystal structures, MOFs, complexes & CUBE files, plus CShM, PXRD, BVS, and VSA analysis. For Windows, macOS & Linux.
👉shapext.com/downloads/
#crystallography #chemistry #compchem
ALT The workspace and welcome screen of the shapeXT demo.
Stay tuned! 😎
A big thank you to everyone who stopped by the #shapeXT booth at the GDCh Conference on Inorganic Chemistry in Jena! Inspiring exchanges on #crystallography, MOFs & quantum chemistry. Free trial & early bird launch this October: shapeXT.com #compchem #chemtwitter
ALT The shapeXT exhibition booth at the GDCh Conference in Jena.
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Michael Böhme retweeted
Contact surface of MOF-5, calculated and rendered by #shapeXT. shapeXT is a modern 64-bit app built for analyzing large structures and preparing publication figures. Launching Oct 2026, shapeXT will be available for Windows, macOS, and Linux. #chemistry #crystallography #compchem
Michael Böhme retweeted
Designed to address the bottlenecks researchers face when analyzing large structures and preparing publication figures, #shapeXT is a modern, native 64-bit application built for Windows, macOS, and Linux.
Launching October 2026
#chemistry #crystallography #compchem #molecules
Michael Böhme retweeted
Real-time changes improve visual perception and experience. #shapeXT was extended to allow users to move atoms in crystal structures with the mouse. The video demonstrates changing atom positions in ice (VIII) in real time, taking SG symmetry into account. #chemistry #compchem
Michael Böhme retweeted
Google DeepMind’s AI model has, for the first time, independently proposed and confirmed a new cancer treatment approach
The system, called Cell2Sentence-Scale and featuring 27 billion parameters, discovered that the drug silmitasertibmakes tumors more visible to the immune system.
The algorithm tested over 4,000 compounds and predicted that silmitasertib boosts immune response in active immune systems.
Experiments on human cells confirmed the effect: when combined with a low dose of interferon, antigen presentation increased by 50%.
This marks the first time an AI has not only analyzed data but also formulated and verified a hypothesis with clinical potential.
Researchers from DeepMind and Yale University call it a major step toward applying artificial intelligence in biomedicine — though they note the findings still require further validation.
Michael Böhme retweeted
Skala is now available to everyone!
Why are we releasing it? Because we’re not just aiming to publish a cool paper — we’re on a mission to bring DFT to chemical accuracy using deep learning. And to make real progress, we need the community’s feedback. #compchem
The wait is over! Microsoft Research is sharing Skala, the new exchange-correlation functional, marking a major milestone in the accuracy/cost trade-off in DFT. Help us learn from your testing so we can improve. Available on Azure AI Foundry and GitHub. msft.it/6016sFDLY
Michael Böhme retweeted
Microsoft Research invites organizations of all sizes to join the DFT Research Early Access Program to explore the potential of our new Skala functional and accelerate innovation across industries through faster and more accurate density functional theory. msft.it/6012SFjGr
Michael Böhme retweeted
The James Webb Space Telescope detected dimethyl sulfide in its atmosphere (on Earth that comes from marine microorganisms).
K2-18b is potentially habitable super-Earth about 2.6 times the size of our planet. It is located 124 light-years from the Solar System.
Eine kleine Zeitreise gefällig? #WissZeitVG #IchbinHanna
ALT Dr. Anke Burkhardt, Martin-Luther-Universität Halle-Wittenberg, Institut für Hochschulforschung; 7. Hochschulpolitisches Forum der Hans-Böckler-Stiftung 2015: "Gute Arbeit an Hochschulen – die Basis für ein gutes Studium"
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Michael Böhme retweeted
We apologize if you were one of the ~1,300 people who tried to access the report last week when SSOAR was down.
The good news? SSOAR lives again, and the report is available for download: tinyurl.com/lpn2024
#IchBinHanna #WissZeitVG #AcademicTwitter #PostdocVoice
Michael Böhme retweeted
The Simpsons on PhD students - almost twenty years old & more cutting than ever
Michael Böhme retweeted
Wenn das „Sicherheitspaket“ der Ampel durchkommt, können wir alle ohne Anlass und einfach so kontrolliert und durchsucht werden netzpolitik.org/2024/ueberwa…
Michael Böhme retweeted
Strong evidence showing that getting a PhD is extremely bad for your mental health.
A new paper uses Swedish medical records and matches them to the full population of PhD students for which the authors could get gender and birth year data from 2006 to 2017. After some exclusion criteria, they end up with a sample size of 20,085 individuals.
The paper compares PhD students to those who have masters degrees and don't start a PhD program.
Before starting a PhD program, people who stop at a masters and those who go on to seek a PhD have similar rates of psychiatric medication use and hospitalization.
A few years into a PhD program, however, 40% more individuals are on psychiatric medications, before the number falls off as people leave or finish their studies.
You see the same pattern with psychiatric hospitalizations. PhD students are up to 150-175% more likely to be hospitalized after starting a program!
These are incredible numbers, too massive to be the result of chance or a flaw in the methodology. This is comparing the same people over time.
If you're considering a PhD program, and the terrible job prospects and waste of time aren't enough, here's yet another reason to stay away.
