AI-first pull request reviewer with context-aware feedback, line-by-line code suggestions, and real-time chat.

Our latest paper at COSMO Lab on the thermal conductivity of LPS solid-state electrolytes is out on Physical Review Materials journals.aps.org/prmaterials/ab…. Many thanks to my co-authors Federico Grasselli, Lorenzo Gigli, Michele Ceriotti and to Swiss National Science Foundation NCCR-MARVEL Marie Skłodowska-Curie Actions European Research Council (ERC) for funding

Excited to share that Uni-Mol has joined the DeepModeling community! 🚀 Our 3D molecular representation framework is revolutionizing molecular design. Check out our GitHub for more details and to contribute: github.com/deepmodeling/U… #unimol #deepmodeling #opensource

CuPy is officially on v13.2.0! This comes with Support for NumPy 2.0, Lazy-preload NCCL, updated documentation, bug fixes, and much more. See the full release notes: hubs.la/Q02GDWcX0

🚀 Exciting news! DeePMD-kit v3 (v3.0.0a0) is here! Train models on TensorFlow & PyTorch. New PyTorch backend supports large atomic models with the DPA-2 model. Fully Python-based for easy dev & debugging. Thanks to all contributors! Learn more & download: github.com/deepmodeling/d…

Nice Thermos

The research done four years ago were finally wrapped up.🥲 Water-Mediated Proton Hopping Mechanisms at the SnO2(110)/H2O Interface from Ab Initio Deep Potential Molecular Dynamics | Precision Chemistry pubs.acs.org/doi/10.1021/pr…

镰仓殿的十三人真是继真田丸之后最好看的大河剧，简直就是因果报应的循环，

嫌な予感がする

ChatGPT actually saves tons of time for non-native speakers. Chatbots in science: What can ChatGPT do for you? nature.com/articles/d4158…

Just realized the importance of color blind friendly colormaps. So I implemented in the cp2kdata. robinzyb.github.io/cp2kdata/docs/…

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

Sunset of Lisbon

Happy to present an oral talk at the workshop on “Electron Transfer and Dynamics at Interfaces” organized by Max Planck Institute for Sustainable Materials

When someone praises your work

Excited to share our latest work about the proton-coupled electron transfer at the BiVO4-water interface. onlinelibrary.wiley.com/doi/abs/10.100…

Excited to release the database for electrochemical systems. The data are mainly from my ex-colleague and me during PhD studies. Scientific Data nature.com/articles/s4159…

已经到达日本了，接下来就要开始体验工业界了！