Top Tweets for #MLpotentials
🚀 Exciting news! 💡Our latest paper shows that implicit solvent ML potentials can surpass explicit solvent atomistic models in both accuracy and efficiency. #MLPotentials @JChemPhys
We are organizing a CZS Summer School about #MachineLearningInChemistry. 9-13 Sept @KITKarlsruhe, Germany. More information: https://t.co/8PXA3cUAqb Speakers include Jörg Behler, Stephan Günnemann, Geemi Wellawatte, and many more! #MolecularDesign #MLPotentials #SelfDrivingLabs
How to train uniformly accurate #MLPotentials from scratch? With @DHolzmueller, @henchristiansen, @federico_errica, @f_alesiani, @mtmktmkt, @Mniepert, and @GroupKaestner, we investigate the capability of uncertainty-biased #MD: https://t.co/PYUHpBCLjG. 1/
How good are scalable #Bayesian methods for #MLpotentials? Find out in our recent preprint https://t.co/etYFlzuWQk
How can #MLPotentials reach coupled-cluster accuracy without generating a large data set? With @DHolzmueller, @luca_bonfirraro, and @GroupKaestner, we study the capability of #TransferLearning to develop chemically accurate interatomic potentials: https://t.co/9Ygy0sjfVH. 1/
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