Xin@QuantumChem
xinquantum.bsky.social
Xin@QuantumChem
@xinquantum.bsky.social
Computational Chemist
@NJ/NYC
Github: https://github.com/XinChenQC
October 22, 2025 at 7:18 PM
This is creepy, but lots of fun. Gemini Veo has a perception of spatial depth and can rotate the molecules.
Inspired by www.youtube.com/watch?v=mDyt...
#compchem #compchemsky
July 12, 2025 at 6:06 PM
Surprisingly, the UMA (by meta) model captures the bond-breaking process in the carbon nanotube stretching test, similar to GFN2-xTB. I hadn't expected deep learning models to extrapolate over bond lengths.
#compchemsky #chemsky
June 4, 2025 at 3:52 PM
Stretching of a carbon nanotube, a DFTB simulation. Do you know why I placed a nitrogen atom at the center?

#CompChem #CompChemSky #Science #Chemistry
December 21, 2024 at 8:05 PM
Lower speed collision of C60, like two elastic balls. (DFTB+)

#CompChemSky #CompChem #Chemistry #Physics

@filtei.bsky.social
December 15, 2024 at 4:16 PM
Collision Between Two C₆₀ Molecules: A Violent Encounter
(An xTB-GFN2 Simulation)

#CompChemSky #CompChem #Chemistry #Physics
December 11, 2024 at 4:08 AM