Frank Noe
@FrankNoeBerlin
Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.
ID:878678526865625088
24-06-2017 18:17:40
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Hot off the press🔥
Check out our work on machine learning prediction of the heat capacity of MOFs in Nature Materials: nature.com/articles/s4156…
A summary 🧵👇
With Charithea Charalambous, Daniele Ongari, Mehrdad Asgari Amir Farmahini, Frank Noe, Susana Garcia, Lev Sarkisov, Berend Smit
Join me at #MSFTResearchSummit on October 18 where we’ll discuss 'The Fifth Paradigm of Scientific Discovery' and address the question: what transformational impact can deep learning have on the way we practice science? Register now.
aka.ms/Register_Resea…
Temperature steerable flows and Boltzmann generators, Manuel Dibak, Leon Klein, Andreas Krämer, and Frank Noé Leon Klein Andreas Krämer Frank Noe Freie Universität #StatisticalPhysics go.aps.org/3MARa93
See what's trending in Machine Learning: Science and Technology right now at bit.ly/3MfoXUS featuring articles by Alan Aspuru-Guzik Steven Brunton Frank Noe Mario Krenn Philippe Schwaller (he/him) Pascal Friederich Teodoro Laino Nong Artrith KaestnerGroup #machinelearning #AI #compchem #materials #quantum #physics
Method to compute chemical potentials of mixtures from equilibrium molecular dynamics simulations.
Only modest system size & postprocessing are needed.
Applicable to a variety of systems including eletrolytes, organic molecules in water, dense mixtures...
aip.scitation.org/doi/10.1063/5.…