Me, wearing a pride-themed shirt, in front of my poster.
Escaped the heat of Belgium & LCT UNamur to attend #WATOC2025 in Oslo 🇳🇴 last week. A great week of reconnecting with former colleagues, meet new people, discovering new #quantum chemistry tools, and sharing my work on #XPS spectra from the #ECOBAT project 👉 dx.doi.org/10.1021/acs....
Last week I had the opportunity to present my poster at WATOC2025✨
It was a valuable occasion to share my work and engage with researchers in the field.
Many thanks to the organizers and participants for the stimulating event.
#WATOC2025 #computationalchemistry #machinelearning
Farewell to #WATOC2025! Thanks to those who stopped by our booth, and congrats to Yannick Calvino Alonso, winner of our giveaway. We are honored to have had the opportunity to learn from many brilliant researchers and hear about exciting science from groups across the globe!
It was so nice to catch up with so many past, present and even future members of the #AGLeti at #watoc2025 in Oslo!
Thanks for keep doing great science around the world!
It's the last day of #WATOC2025, and we're delighted to highlight the plenary talk from Q-Chem developer Thomas Jagau on his work with complex-energy electronic-structure methods!
Amazing week in Oslo for #WATOC2025.
Best part? Catching up with old friends and meeting new people.
I shared one of our latest projects, and Diana, Tim @jamesob2.bsky.social , and @juliak4czm4r3k.bsky.social presented a poster 🥳
Time to go home!
#compchem #phdlife #academiclife
We are at #WATOC2025! Presenting two contributions about our development of #AbInitio #MonteCarlo simulations for molecular liquids and about peculiarities of #CrystalStructurePrediction for #IonicLiquids. #CompChem #PhysChem
THIS IS US. ☺️🔥💪
Molecular Modeling and Drug Discovery Lab
Istituto Italiano di Tecnologia
#WATOC2025
Happy to present in Oslo our effort to connect mechanistic insights and key applications for Catalysis and Drug Discovery - targeting RNA, and more...
#StayTuned 😉
Also be sure to swing by the posters of some of these Q-Chem developers during Poster Session 3 this evening at #WATOC2025!
Florian Matz
Madhubani Mukherjee
Anthuan Ferino Pérez
Charlotte Titeca
Cansu Utku
Some exciting talks from Q-Chem developers are happening this morning at #WATOC2025 (06/26):
Thomas Froitzheim (B1, 8:30AM)
∆g-xTB: Excited states with state-specific extended Tight-Binding
Lin Lin (A1, 8:30AM)
Finite-size error in quantum chemistry methods for periodic systems
Prof. Lars Goerigk presenting in a conference hall at WATOC 2025 in Norway
Another great talk from a @pccp.rsc.org Associate Editor at #WATOC2025, this time it's Lars Goerigk presenting work on time-dependent long-range corrected double-hybrids! #compchemsky
The most innovative aspect of the implementation is the treatment of dipolar spin–spin coupling in a basis of configuration state function with a GUGA-like approach. I am happy to chat about this topic while still at #WATOC2025!
Two of them are at #WATOC2025 this week and ready to share all the details about the method you’ve been waiting for:
📍 @thfroitzheim.bsky.social — Thursday, Session B1, 9:20 AM
📍 S. Grimme — Thursday, Session A2, 10:20 AM
Don’t miss it!
Don’t miss these posters from Q-Chem developers in Poster Session 2 at #WATOC2025:
Rachel Stein
Computing Hydrogen Tunneling Splittings with Nuclear-Electronic Orbital Multireference Configuration Interaction
Manuel Hodecker
Conformer Ensemble Processing for Improved NMR Spectrum Prediction
Great to see our @pccp.rsc.org Deputy Chair Fritz Schaefer giving the journal a shout-out during his talk at #WATOC2025 today #compchem
An iconic quote from his talk: "I thought ten years ago B3LYP was over, but it's coming back!"
𝗦𝗖𝗠 𝗶𝘀 𝗵𝗲𝗮𝗱𝗶𝗻𝗴 𝘁𝗼 𝗪𝗔𝗧𝗢𝗖 𝟮𝟬𝟮𝟱 𝗶𝗻 𝗢𝘀𝗹𝗼! 🧪 Matti & David will be there June 22–27 to chat all things AMS2025—from catalysis to machine learning. Come find us at the SCM booth, share your ideas, and let’s talk theory & tools! #WATOC2025 #CompChem #CompChemSky #MatSky
Make sure to stop by posters from these Q-Chem developers during Poster Session 1 on Monday evening! #WATOC2025
Nicola Bogo
Wenjie Dou
Lisa Hetzel
Alessandro Mangiameli
Kaushik Nanda
Felix Plasser
Chongxiao Zhao
Don’t miss these talks from Q-Chem developers at #WATOC2025, happening on Monday (06/23):
Debashree Ghosh (Session E1, 08:30AM)
Structure and photophysics of melanin
Christopher Stein (Session B2, 11:10AM)
Simple Embedding Models for Metallic Surfaces
I'm very happy to be attending #WATOC2025 this year in Oslo! I'll be presenting a poster of my work on DNA-Repair Enzymes on Tuesday! I'm super excited!
The well-deserved WATOC medal was given to Frank Neese. #watoc2025 @orca-qc-official.bsky.social @faccts.de
Attending #WATOC2025? If so, stay tuned! We'll be posting each day of the conference with a list of exciting talks and posters from current and former Q-Chem developers.
We're delighted to be sponsoring #WATOC2025 this week, and if you're in Oslo, make sure to say hi to Bee at the @rsc.org booth - they're here to chat all things physical chemistry, chemical physics and biophysics!
As has become tradition, #WATOC2025 kicking off with a local folk music performance
An R-S-C exhibition booth featuring a selection of leaflets promoting RSC journals as well as a large pop up banner celebrating the 25th anniversary of P-C-C-P. Behind the booth stands Bee, a white nonbinary person wearing a white shirt with lemons printed on it.
Come and find me at #WATOC2025 at the @rsc.org booth 🥳
I'm representing @pccp.rsc.org and my colleagues from @chemicalscience.rsc.org and @digital-discovery.rsc.org will join me tomorrow! #chemsky
Come and chat #compchem and grab a freebie while you're here! 🧪
#compchemsky
