📣 CECAM Workshop – FAIR Data Management of Theoretical Spectroscopy & Green’s Function Methods
The workshop brings together method developers, materials scientists, and data experts to tackle challenges in data management and standardization for excited-state and GF methods.
#CECAM #FAIRdata #NFDI
Reunión CECAM
Reunión CECAM
Reunión CECAM
Reunión CECAM
📆 Iniciamos con #CECAM las reuniones del #PresupuestoCLM2026.
👉 Unas cuentas que favorecen el desarrollo económico y social de #CLM, con el sector empresarial como principal colaborador, para generar #empleo y #riqueza y en un contexto de estabilidad
ℹ️
www.castillalamancha.es/node/410819
Sunny beach in corsica.
In Cargèse for a #cecam workshop on biophysical modeling of viruses. Probably the most beautiful conference location. 😍 Thanks to the organisers !
Fantastic keynote by @jameszou.bsky.social on self-governing, agent-based systems at the #CECAM workshop on Generative AI and large language models for protein modelling in Lugano.
We are happy we were able to support the #CECAM Flagship Workshop at @iocbprague.bsky.social last week.
#compchem #SQM #TransferingKnowledge #techtransfer
Our #CECAM Flagship Workshop brought together leading minds from academia & industry to push the boundaries of #QM, #ML & #MD in #DrugDesign.
Big thanks to @cecamevents.bsky.social @iocbprague.bsky.social @iocbtech.bsky.social & to all participants for the energy & insights!
#compchem #SQM
Final sessions at our #CECAM Workshop featured Lance Westerhoff, Peter Nagy & Subrahmanyam Sappati on QM/MM refinement, high-level #QM benchmarking & antifungal design. A strong finish with lively discussions & closing remarks!
@cecamevents.bsky.social
#CECAMinPrague @iocbprague.bsky.social
Day 3 opened with Kenneth Atz @Roche tackling the holy grail of #CADD: P-L binding #affinity prediction. By reframing limits of data & models, we can focus on the next solvable challenges - a sharp reminder of complexity & progress ahead.
#CECAM @cecamevents.bsky.social @iocbprague.bsky.social
Morning session of our #CECAM Workshop in Prague featured @gdefabritiis.bsky.social presenting a ML force field for drug discovery, Julien Michel on electrostatic embedding for ML/MM free energy calcs, and Carlos Cruz Marin on ML models for logP.
@iocbprague.bsky.social @cecamevents.bsky.social
We opened Day 2 of our #CECAM flagship workshop in Prague with the CECAM director Andrea Cavalli, highlighting steered #MD, dynamical docking & the complexity of binding energetics, and the challenges ahead. 🚀
#CECAMinPrague @iocbprague.bsky.social @cecamevents.bsky.social @iocbtech.bsky.social
Day 1 of our #CECAM Flagship Workshop in Prague started strong!
Talks by Kennie Merz, Jan Řezáč, Markus Hermann & Hamza Ibrahim sparked great discussion on #QM, #ML & #DrugDesign
Thanks to @iocbprague.bsky.social, @iocbtech.bsky.social & @cecamevents.bsky.social for support!
#compchem #SQM
Tomorrow we kick off our #CECAM Flagship Workshop on Quantum Chemistry for Drug Design (Sept 8–10, Prague). 3 days of cutting-edge talks bridging #QM #ML & #drugdesign with world-class speakers shorturl.at/5sooU
#compchem #SQM @iocbtech.bsky.social @cecamevents.bsky.social @iocbprague.bsky.social
Meet SHIELD! 🤚
Today (and last, but not least!): The Cavalli group at CECAM/EPFL develops and applies computational methods to investigate biological systems of therapeutic interest. 🧪🧬
www.cecam.org
#ComputationalBiology #EPFL #CECAM #ScienceForHealth #HorizonEU #SHIELDproject 🚀🧠💻
On the train back from the #CECAM workshop ‘RNA modeling across scales’. Big thanks to the organisers @bussilab.org, @magistratolab.bsky.social and @marcodevivo.bsky.social for the opportunity to present our two innovative approaches with @bonomimax.bsky.social: #HARIBOSS and #SHAMAN!
EXA4MIND at the RNA modelling across scales workshop 🚀
EXA4MIND partners from Institute of Biophysics of the Czech Academy of Sciences presented two posters related to their research into the development of the EXA4MIND platform at the flagship event organised by #CECAM in Trieste, Italy.
nanodiag BW beim CECAM Flagship Workshop on nanopores in Cagliari 🇮🇹 Theorie & Experiment im spannenden Austausch – großartig organisiert, mit u.a. Jan C. Behrends, Christian Holm & Co. #nanopores #CECAM #forschung #nanodiagBW
👉Amb l'objectiu d'informar sobre el paper del laboratori a les obres de rehabilitació @ObRE_Girona, @CATGI_AT i @cecamlab organitzen la jornada 'Rehabilitació amb garanties'
🕐De 10 a 13 h
🗓️21 MAI
📍#CECAM
Inscriu-t'hi gratuïtament ✍️ https://tuit.cat/gbicM
Mike Preuss (Leiden) dives into Monte Carlo Tree Search at #AIchemist!
From AlphaGo to retrosynthesis, MCTS isn’t just an algorithm — it’s a framework. Multi-objective setups, deep search strategies & chemistry-ready adjustments.
#CECAM #EPFL
🌍 Can’t travel to Lausanne? Join selected AIChemist lectures online – live & free!
📅 April 28–May 2
🧪 Learn from AI/ML experts in drug discovery
📝 Register now! www.cecam.org/worksh...
#AI #AIChemist #CECAM #Innovation
🚀 Exciting news! We're organizing a @cecamevents.bsky.social Flagship Workshop on Quantum Chemistry in Drug Design in Prague, Sept 8–10, 2025!
Join top experts from academia & industry. Few spots left for contributed talks!
📢 Apply now: www.cecam.org/workshop-det...
#compchem #cadd #QM #CECAM
Are you using nonadiabatic dynamics for complex systems? Join us in sunny Spain for the "Future Directions in Non-Adiabatic Dynamics" workshop (Sept 2-5, 2025) at CECAM-Zaragoza! Register by June 3. Check out the event page: tinyurl.com/2nvnanf2
#NAMD #NonAdiabaticDynamics #CECAM
The new #CECAM program is now live!
76 exciting workshops, schools and conferences will be held across the network between April 2025 and March 2026!
Explore our activities and apply to participate at: www.cecam.org/program
Join us in Lausanne to learn more about how graph theory, computational topology and other descriptors of shape can be used to accelerate simulation and analysis of chemical systems! It will be beautiful in July #CECAM #compchem #matsci #physics #math
www.cecam.org/workshop-det...
4 days of great science in a cozy venue for the #CECAM workshop www.cecam.org/workshop-det... in Paris
Picture of Anna Panchenko standing on the Library stage about to begin her talk
#CECAM workshop, day 4. Anna Panchenko opens the last session on protein/nucleic acids interactions.
Teresa Carlomagno standing in front of the room
3rd day of our #CECAM workshop on biomolecular interfaces dynamics, Teresa opens the morning session on IA and integrative approaches.
Scientific meeting in a hundred year old library room
Monika Fuxreiter standing in the IBPC library.
Second day of or #CECAM workshop on biomolecular interfaces dynamics, Monika Fuxreiter opens the morning session.
A pleasure to be back in Lausanne at #CECAM for the workshop "Beyond ground state simulations: Navigating challenges in excited states of extended molecules and materials". After three days of talks and discussions it's fair to say that challenges abound!
