Florian's work on linear scaling and differentiable evaluation of electrostatic interactions using the multilevel summation method is out in Comp. Phys. Commun. www.sciencedirect.com/science/arti... Funded by @fwf-at.bsky.social through @taco-oxides.bsky.social and coe-mecs.at

msmJAX: Fast and differentiable electrostatics on the GPU in Python

We present msmJAX, a Python package implementing the multilevel summation method with B-spline interpolation, a linear-scaling algorithm for efficient…

sciencedirect.com

It's Monday, and we have a new video of a TACO colloquium talk on our YouTube channel! Reinhard Maurer, full professor of Computational Materials Discovery at @univie.ac.at, presented "Ultrafast Dynamics at Surfaces with Machine Learning Surrogates". See youtu.be/GMbZ4JeIHsQ?... Enjoy!

Reinhard Maurer: Ultrafast Dynamics at Surfaces with Machine Learning Surrogates

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

Perovskites are versatile functional materials with applications in photovoltaics, solid-state electrolytes, and ferroelectrics. In his colloquium talk, Paul Erhart presented "The Interplay of Dynamics and Order in Mixed Perovskites". His talk on our YouTube channel: youtu.be/EwQE-WEz-i0 Enjoy!

Paul Erhart: The Interplay of Dynamics and Order in Mixed Perovskites

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

The TACO Colloquium talk by @yairlitman.bsky.social about "Unraveling Water’s Behavior in Anisotropic Environments" is now available as a video on our YouTube channel: youtu.be/EcNbAmr2fhI Enjoy!

Yair Litman: Unraveling Water’s Behavior in Anisotropic Environments

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

TACO: Taming Complexity in Materials Modeling@taco-oxides.bsky.social · 4mo ago

Invitation to our next TACO Colloquium! On Mon, Apr 27, 5 pm CEST, @yairlitman.bsky.social will be “Unraveling Water’s Behavior in Anisotropic Environments”. You can either participate in person in HS4 in TU Freihaus or on Zoom. All essential information on our website: sfb-taco.at/waters-behav...

Invitation to our TACO colloquium *tomorrow* Monday, May 4: Paul Erhart (Chalmers) will present "The Interplay of Dynamics and Order in Mixed Perovskites". It takes place in HS4 of TU Freihaus, at 5 pm CEST. All essential info, including for Zoom participation, see sfb-taco.at/mixed-perovs....

Conference recommendation: In August this year, the NC-AFM 2026 will be hosted in Innsbruck. You will experience a week of cutting-edge developments in AFM research. The abstract submission deadline is May 15. Please follow the link to the conference website: www.uibk.ac.at/en/congress/...

Invitation to our next TACO Colloquium! On Mon, Apr 27, 5 pm CEST, @yairlitman.bsky.social will be “Unraveling Water’s Behavior in Anisotropic Environments”. You can either participate in person in HS4 in TU Freihaus or on Zoom. All essential information on our website: sfb-taco.at/waters-behav...

Unraveling Water’s Behavior in Anisotropic Environments - SFB TACO

The 38th TACO Colloquium given by Yair Litman from Max Planck Institute for Polymer Research, Germany.

sfb-taco.at

#SocialMedia im Alltag: Kommunikationsforscherin Kathrin Karsay und Lehrer Fabian Scheck diskutieren darüber, wie sich die Nutzung von Smartphones auf Jugendliche auswirkt. 📲 „Am Puls“-Wissenschaftstalk 🗓 21. April 2026, 18:30 Uhr 📌 Kabarett Simpl, Wien www.fwf.ac.at/entdecken/di...

We also enjoyed a very nice talk by Qaisar Maqbool about "Upcycling E-Waste to Oxide Catalysts"!

Christoph Dellago@chhdellago.bsky.social · 4mo ago

Excellent talk of Bernhard Reischl about heterogeneous ice nucleation, with live demonstration outside❄️😱 @taco-oxides.bsky.social @fwf-at.bsky.social

Excellent talk of Bernhard Reischl about heterogeneous ice nucleation, with live demonstration outside❄️😱 @taco-oxides.bsky.social @fwf-at.bsky.social

Nico's work on predictive phase diagrams combining active learning for MLIP backed replica-exchange nested sampling is out in NPJ Comp Mater. www.nature.com/articles/s41... Funded by @fwf-at.bsky.social through @taco-oxides.bsky.social and COE-MECS

Active learning potentials for first-principles phase diagrams using replica-exchange nested sampling - npj Computational Materials

npj Computational Materials - Active learning potentials for first-principles phase diagrams using replica-exchange nested sampling

nature.com

Invitation to our next TACO Colloquium! On Mon, Mar 23, at 5 pm CET, Taro Hitosugi from @utokyoofficial.bsky.social will present "Autonomous Experiments for Solid Materials: From Thin Films to Bulk Synthesis". Information on how to attend the talk, including remotely: sfb-taco.at/autonomous-e...

Autonomous Experiments for Solid Materials: From Thin Films to Bulk Synthesis - SFB TACO

The 37th TACO Colloquium given by Taro Hitosugi from The University of Tokyo, Japan.

sfb-taco.at

A few weeks ago, Hans-Peter Steinrück (@fau.de) gave a TACO colloquium with the title "Ionic Liquid Interfaces", a class of materials with interesting applications in catalysis. If you missed the talk or want to hear it again, you can now find the video on our YouTube channel: youtu.be/NaGBG0iclFs

Hans-Peter Steinrück: Ionic Liquid Interfaces

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

We invite you to the mini-colloquium "Light-driven Processes at Interfaces" at the OePG-CMD Joint Meeting 2026 in Graz at the end of September. The abstract submission deadline is April 15! Please find more information here: oepg-cmd-jointmeeting2026.uni-graz.at/en/cmd-mini-...

TU Wien/@tuwien.at is launching a university-wide #AI / #ML service centre, dataTUdiscovery, led by brilliant TACO Co-PI @esther-heid.bsky.social. The initiators are now seeking 2 senior scientists/postdocs to run the centre. Applications will be accepted only through the official job portal!

Esther Heid@esther-heid.bsky.social · 6mo ago

Do you love building AI/ML models across a wide range of research topics? TU Wien is hiring two senior scientists/postdocs for a university-wide AI/ML service center (www.tuwien.at/datatudiscovery). Computer science: jobs.tuwien.ac.at/Job/263874 Science/engineering: jobs.tuwien.ac.at/Job/263875

In December, Marc Koper/@unileiden.bsky.social discussed the many unsolved mysteries of the "Electric Double Layer of Platinum Electrodes" in a TACO Colloquium. The talk video is now online on our YouTube channel: youtu.be/deUhfgwaqSY?... Enjoy!

Marc T.M. Koper: Electric Double Layer of Platinum Electrodes

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

TACO: Taming Complexity in Materials Modeling@taco-oxides.bsky.social · 9mo ago

The next TACO Colloquium is coming up! Marc Koper/@unileiden.bsky.social will present the "Electric Double Layer of Platinum Electrodes" at 5 pm on Mon, Nov 24. You will find all essential information, including credentials for remote participation, on our TACO website: sfb-taco.at/electric-dou...

In one week, on Jan 26 (5 pm), we will hold the first TACO Colloquium of the year. Hans-Peter Steinrück/@fau.de will speak about "Ionic Liquid Interfaces". You find all essential info, incl. an abstract and credentials for remote participation, on our website: sfb-taco.at/ionic-liquid....

Ionic Liquid Interfaces - SFB TACO

The 36th TACO Colloquium given by Hans-Peter Steinrück from the FAU Erlangen-Nürnberg, Germany.

sfb-taco.at

Neue Ausschreibung: Bei „LUKE – Linking Ukraine to the European Research Area“ werden Forschungsprojekte unter Beteiligung der #Ukraine gefördert. Fokus: Energie, Cybersicherheit, Medizin und Gesellschaft. 👉 www.fwf.ac.at/aktuelles/de...

Neues Förderangebot für Forschungsprojekte mit der Ukraine

Im Rahmen der neuen Ausschreibung „LUKE – Linking Ukraine to the European Research Area“ werden Forschungsprojekte unter Beteiligung der Ukraine gefördert. Ziel ist es, wissenschaftliche Ressourcen zu...

fwf.ac.at

The @fwf-at.bsky.social recently approved a new research group on photocatalysis, which has strong ties to TACO. Read the details in the news item on our website: sfb-taco.at/fwf-approves... Congratulations to Michele, Giada, and Laerte! 🥳

FWF approves new research group on photocatalysis - SFB TACO

FWF approves new research group on photocatalysis with strong ties to TACO.

sfb-taco.at

We invite you to the next TA[CO]lloquium! On Mon, Dec 15. Albert Bartok-Partay (@uni-of-warwick.bsky.social) will present "Materials Modelling Across the Scales", starting at 3 pm. See our website for further information, including credentials for remote participation: sfb-taco.at/materials-mo...

Materials Modelling Across the Scales - SFB TACO

The 35th TACO Colloquium given by Albert Bartok-Partay from the University of Warwick, UK.

sfb-taco.at

A few weeks ago, we had the joy of listening to an engaging colloquium talk by Alec Wodtke (MPI for Multidisziplinary Sciences), who was "Bridging the Gap in Heterogeneous #Catalysis". Now you can listen to his talk on our YouTube channel: youtu.be/YU_IM2FIReU?... Enjoy! @chemistry-tuw.bsky.social

Alec Wodtke: Bridging the Pressure Gap in Heterogeneous Catalysis

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

The 6th and last invited talk at our recent TACO Retreat was delivered by Johannes Margraf/@unibayreuth.bsky.social, who showed "How Foundation Models for Atomistic Modelling are Changing #Materials Discovery". Here is his talk video on our YouTube channel: youtu.be/i46DEXQlnJk?... Enjoy!

The next TACO Colloquium is coming up! Marc Koper/@unileiden.bsky.social will present the "Electric Double Layer of Platinum Electrodes" at 5 pm on Mon, Nov 24. You will find all essential information, including credentials for remote participation, on our TACO website: sfb-taco.at/electric-dou...

Electric Double Layer of Platinum Electrodes - SFB TACO

The 34th TACO Colloquium given by Marc Koper from Leiden University, The Netherlands.

sfb-taco.at

Alexander Ganose/@virtualatoms.bsky.social introduced the #Materials Project at the TACO Retreat, highlighting the latest work on developing automated workflows for obtaining electronic and thermal transport properties in materials discovery efforts. See his talk video here: youtu.be/BwKbpR3Qgrs

Alexander Ganose: Electron and Thermal Transport at Database Scale

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

The next video of an invited talk at the TACO Retreat went live. Benjamin Rotenberg/@sorbonne-universite.fr was "Making Sense of Electrical Noise by Simulating #Electrolyte Solutions". Here is the video of his presentation on our YouTube channel: youtu.be/tiwNetCQMYk?... Enjoy!

Benjamin Rotenberg: Making Sense of Electrical Noise by Simulating Electrolyte Solutions

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

Lorenzo Monacelli from Sapienza Università di Roma gave an invited talk at the TACO Retreat in September about "Quantum Simulations of Ions" (full title below). The video of his recorded talk in now available on our TACO YouTube channel: youtu.be/d7ki3t-wpHs?... Enjoy!

Lorenzo Monacelli: Quantum Simulations of Ions

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

Greg Kimmel (Pacific Northwest National Laboratory) delivered the second invited talk at the TACO Retreat: "The Structure and Reactivity of Water and Carboxylic Acids on Model TiO2 Catalysts". The talk video is now online on our TACO YouTube channel: youtu.be/JBG5TnrBS6w

Greg Kimmel: The Structure and Reactivity of Water and Carboxylic Acids on Model TiO2 Catalysts

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

In the days ahead, we will publish videos of the invited talks by renowned international scientists we enjoyed at our retreat in September. The first one is the talk "Towards Improved Methodology for #Photocatalysis Simulations" by Hannes Jonsson (University of Iceland): youtu.be/NNRQakayH3U Enjoy!

Hannes Jonsson: Towards Improved Methodology for Photocatalysis Simulations

YouTube video by TACO: Taming Complexity in Materials Modeling

youtu.be

Alec Wodtke from the Max Planck Institute for Multidisciplinary Sciences delivering his colloquium talk about "Bridging the Pressure Gap in Heterogeneous Catalysis":

Right now, our project members enjoy a retreat at Steinschaler Dörfl, Lower Austria, and have intense scientific exchanges during talks and poster sessions. The happy faces in the workshop photo prove that the meeting is very fruitful!