Bingqing Cheng

Computational materials scientist, avid cook | molecular simulations and molecular cuisine @chengbingqing.bsky.social

[Bingqing Cheng @ChengBingqing]

Bye, Viennese Schnitzel; hello, California rolls! I've just moved to @UCB_Chemistry. I'm looking forward to new challenges and collaborations. And I thank the tremendous support and lovely colleagues from @ISTAustria over the past few years.

[Bingqing Cheng @ChengBingqing]

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! https://t.co/SPLCEqoDT4

[Bingqing Cheng @ChengBingqing]

Made sweet potato muffins for breakfast.

[Bingqing Cheng @ChengBingqing]

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

[Bingqing Cheng @ChengBingqing]

Take two. Stuck a flower on top of each cookie.

[Bingqing Cheng @ChengBingqing]

Peak fragrance. Rosemary flower lemon shortbread cookies. Used citrus sugar from the Buddha’s hand candy yesterday.

[Bingqing Cheng @ChengBingqing]

Candied citrus using Buddha’s 🤚. Tmr I’ll use the residual sugar to make lemon shortbread cookies.

[Bingqing Cheng @ChengBingqing]

Started baking again. American yeasts are so much slower than the European ones 😮‍💨

[Bingqing Cheng @ChengBingqing]

Gingersnaps. Basically followed Stella Parks recipe, but I doubled the amount of ginger and other spices, and substituted 50g of whole wheat floor for Dutch processed cocoa.

[Bingqing Cheng @ChengBingqing]

@mackenziejem LES can be used together with any short ranged machine learning interatomic potential, and it’s pretty lightweight. So if the base short ranged mlip is parallelized, so can be the LES version.

[Bingqing Cheng @ChengBingqing]

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!

https://t.co/73zx6popZW

[Bingqing Cheng @ChengBingqing]

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!

https://t.co/1WIEg4GIpl

[Bingqing Cheng @ChengBingqing]

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

[limmerlab @limmerlab]

Students of chemical physics, soft matter, biophysics, or anyone interested in understanding the visible world through a lens of its molecular constituents should check out Statistical Mechanics and Stochastic Thermodynamics, available for preorder https://t.co/Y761hftU3K

[Bingqing Cheng @ChengBingqing]

@nanophononics @FrankNoeBerlin You scared me 🙀

[Bingqing Cheng @ChengBingqing]

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!

https://t.co/1WIEg4GIpl

[Bingqing Cheng @ChengBingqing]

@FrankNoeBerlin If the next couple of grant applications won’t go through, this is what I’ll do 😼

[Bingqing Cheng @ChengBingqing]

@FrankNoeBerlin Frank is very kind!

[Frank Noe @FrankNoeBerlin]

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

[Bingqing Cheng @ChengBingqing]

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.
https://t.co/ZZendh59xo

[Bingqing Cheng @ChengBingqing]

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

[JCIM & JCTC Journals @JCIM_JCTC]

JCTC has opened submissions to a new Virtual Special Issue, Machine Learning and Statistical Mechanics—Shared Synergies for Next Generation of Chemical Theory and Computation @devivo_marco @tiwarylab @RosyCers @ChengBingqing @gagliardi8

Learn more ✨ https://t.co/VVNF09JCQ0