Tristan Bereau
@tristanbereau
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Interested in biomolecular simulations and machine learning of soft matter and biomolecules. Prof at Heidelberg University
Heidelberg, DE
Joined August 2012
RT @JCIM_JCTC: Martignac: Computational Workflows for Reproducible, Traceable, and Composable Coarse-Grained Martini Simulations #Molecular…
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@TCPUniLu @kmjablonka @luxprovide @stefan_theochem Many thanks for organizing this event. I had a great time interacting with and learning about the group!
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Solvation free energies with NeuralTI!
new preprint on solvation free energies: tl;dr: We define an interpolating density by its sampling process, and learn the corresponding equilibrium potential with score matching. with @francoisfleuret and @tristanbereau (1/n)
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@CHHDellago @cecamEvents @TRR146 Thanks for the shoutout, Christoph! And many thanks to @TRR146 for organizing this really nice conference
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I had a great time in Montpellier at this wonderful CECAM workshop. Many thanks to @RS_Chemist, Romain Dupuis, and Jorge Dolado!
We had an awesome @cecamEvents workshop on Bridging modeling scales at Montpellier! Thanks to all speakers, including @sven_rogge @vl_deringer @tristanbereau @CelineM35 @MarbachSophie @EdoBoek @SouzaPauloCT and to Romain Dupuis and Jorge Dolado for being the best co-organizers
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RT @anunesalves: JCIM @JCIM_JCTC has a new special issue about Chemical Compound Space Exploration by Multiscale High-Throughput Screening…
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RT @UniHeidelberg: Universität Heidelberg Establishes AI Board: Interdisciplinary committee advises Rectorate on issues of artificial intel…
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It's been a blast working with @balintmate_ and @francoisfleuret on generative ML for thermodynamic integration. Bálint accurately computes extremely large free-energy differences from a _single_ reference simulation 🔥
New preprint on performing thermodynamic integration along the trajectories of a denoising diffusion model: With @francoisfleuret and @tristanbereau (1/n)
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@SchwarzUlrich @UniHeidelberg Thanks for the shoutout, @SchwarzUlrich ! It was an honor to give my inaugural lecture 😊
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