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Wohooo!!! Pushing VTX (VTX)'s meshless molecular graphics engine to visualize a whole-cell Martini model. New paper in Frontiers in Bioinformatics Frontiers - Bioinformatics and Systems Biology :"Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model."

Very interesting results, very promising model, would this be the ML model of choice for modelling of biological systems?

Thank you France Quantum for this award!🙏 #quantumcomputing #compchem

#quantumcomputing #compchem New preprint: "Quantum Circuits for the Metropolis-Hastings Algorithm". 👉Check it out: arxiv.org/abs/2506.11576 We present a quantum walk construction following the classical proposal-acceptance logic with a constant-sized ancilla register. Since

Our last work (lnkd.in/epCv7bap) highlighted by Quantum Zeitgeist: "Quantum Circuits for the Metropolis-Hastings Algorithm". Recovering a quadratic quantum advantage using Markov chain Monte Carlo using quantum computers! #QuantumComputing quantumzeitgeist.com/quantum-walks-…

#compchem Speaking today at #Watoc 2025 in Oslo: "A foundation model for accurate simulations in drug design". Session C1, 9h35. doi.org/10.26434/chemr…

I heard in some talks at #Watoc 2025 that #machinelearning Foundation models could not simulate well condensed-phase systems in Biology & Chemistry. Have a look at our recent papers! Lots of things are now possible with the #FENNIX-Bio1 model (check the post below). #compchem

Are you a recent #PhD graduate in #compchem ? Or will you graduate before the end of 2025? Consider applying to the 2025 ACS Physical Chemical Division Theory graduate awards! Applications welcome! Apply here ➡️ forms.gle/vjLevQcL14A2Uj…

Honored to join the Editorial Board of the Journal of Computational Chemistry #compchem onlinelibrary.wiley.com/journal/109698…