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Three exceptional scientists associated with @istaustria have won @erc_research Starting Grants #ERCStG, reaffirming our commitment to driving groundbreaking basic research! Congratulations @chengbingqing @polshynlab @flopraetorius 🔗 bit.ly/45WC8Tq

Excited to read the newest method advancement in this promising field!

Spherical harmonics underlies atomic cluster expansion and most equivariant message passing machine learning potentials. But it is not the only way. Take a look of how to do the same only using Cartesian coordinates. nature.com/articles/s4152…

When Bingqing Cheng writes a single author paper, I am definitely going to read it thoroughly and so should you.

Bothered by the lack of long-range interactions in ML potentials? Meet Latent Ewald Summation—our solution to fix "shortfalls" in short-ranged ML potentials for electrostatic and dielectric systems, with only a modest computational cost! arxiv.org/abs/2408.15165

A great contemporary text book on stat mech. Love the chapters on the treatment of ions in solutions and non-equilibrium thermodynamics!

Long-range ML potentials strike again! 🚀 We benchmarked LES on diverse systems—molecules, solutions, and interfaces. Learning just from energy & forces, LES gives the most accurate potential energy surfaces, and physical charges, dipoles, quadrupoles! arxiv.org/abs/2412.15455

Chocolate crinkles with the help from my almost 3y old.

Made sweet potato muffins for breakfast.

Guess what? By learning from energies and forces, machine learning interatomic potentials can now infer electrical responses like polarization and BECs! This means we can perform MLIP MD simulations under electric fields! arxiv.org/pdf/2504.05169