100 citations · 101 across the 2 of their papers we have counts for
3 papers
physics.chem-ph2026
Learning Electron Density with Virtual Atoms for Transferable Atomistic Representations
Yuzhi Liu, Xinzijian Liu, Chengqian Zhang +3
Electron density is a fundamental quantity of electronic structure, yet most machine learning density models treat it solely as a reconstruction target and are developed separately…
physics.chem-ph2026★ 1 cited
Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills
Mingwei Ding, Chen Huang, Yibo Hu +8
This work presents a decoupled framework for multi-step computational chemistry automation built on OpenClaw. OpenClaw serves as the general-purpose agent for task coordination and…
physics.chem-ph2025★ 100 cited
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
Jinzhe Zeng, Duo Zhang, Anyang Peng +44
In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for m…