principal scientist and head of inorganic materials model team @ #BASF working on #catalysis #MachineLearning | #Quantum #Chemistry || #ai
Ludwigshafen am Rhein, Deutsch
Joined November 2009
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🚀 MLIPX is Live! 🌟
Check out our new open-source code from @BASF for evaluating machine-learned interatomic potentials. Dive into advanced evaluation methods, visualisation tools, and more! Special shout out to @PythonFZ and Sheena agarwal! github.com/basf/mlipx
Check out the latest paper from our wonderful ongoing collaboration!
🚨Arslan's and @lopanits paper extending our high-entropy alloy potential to surfaces is now officially published on @JPhysMaterials iopscience.iop.org/article/1… All sorts of defective structures, for up to 25 elements *simultaneously* 🤩
Sandip De retweeted
Our latest work on 'Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction' (w @graeme_day @COSMO_EPFL and @SandipDeScience) is now online @ChemMater pubs.acs.org/doi/10.1021/acs…
Sandip De retweeted
Hot from the press, a review on accelerated path integral methods, together with Tom at @Stanford. Lots of work, but totally worth it. On the reading list for the @cecamEvents school this coming June #PI2018 😁 xitter.cf/NatRevChem/status/9689…
Nuclear quantum effects enter the mainstream
go.nature.com/2sZpPbq
A Review article from Thomas Markland and Michele Ceriotti
Group excursion of @COSMO_EPFL at @glacier3000 yesterday.
What a cool way to finish my last working day at @EPFL_en #drone #switzerland #glacier3000 #winter #mavicpro
Sandip De retweeted
An international collaboration led by ETH physicists has used machine learning on "Piz Daint" to teach the CSCS- supercomputer how to predict the outcomes of quantum experiments. The results could prove to be essential for testing future quantum computers: ow.ly/tKOk30iF6Fw
Sandip De retweeted
Are you ready to hear our story? On the 1st of March, at 18:00, at the Rolex Forum Center, we will bring the sunshine to this windy winter with our presentation of the fifth mode of transportation, one that will revolutionize the infrastructure in Switzerland and beyond! #epfloop
Sandip De retweeted
For those who haven't seen it: here's a robust algorithm that recognizes motifs such as H-bonds, coordination polyhedra, and protein secondary structure, helping interpret, rationalize systems' stability and behavior. @COSMO_EPFL bit.ly/2CB3AIc
Sandip De retweeted
Quantum ESPRESSO development moves to GitLab, details below! @QuantumESPRESSO @gitlab xitter.cf/max_center2/status/968…
Quantum ESPRESSO development moves to GitLab at gitlab.com/QEF/q-e. Instructions on how to contribute are in file CONTRIBUTING.md and will be clarified and extended in the next weeks. @QuantumESPRESSO @gitlab (but is still available at MaX user portal)
Sandip De retweeted
The school is already oversubscribed so make sure to write a convincing application! xitter.cf/FHI_SabIA/status/96812…
⚡️ “Winning the First Prize at EPFL ACCES Scientific Visualization Contest”
xitter.cf/i/moments/968353635406…
@COSMO_EPFL @nccr_marvel @EPFLevents @EPFL_en and here is the video explaining the entry! youtu.be/gTzjtrjljwU
#scientificthinking
It's an honor to receive the first prize at @EPFL_en @nccr_marvel ACCES #scientific #visualization #contest. Try #AR #VR #app yourself at goo.gl/UwynQP @COSMO_EPFL 😀
