arXiv (All)
open access
Effective Atom Theory: Gradient-Driven Materials Design
We introduce Effective Atom Theory (EAT), which embeds discrete atomic identities into a continuous differentiable space. During optimization, sites pass through temporary effective mixtures, then are driven to fully discrete, physically realizable atoms. This enables gradient-based optimization in
Conceptio Open Archive
Analyze & explore related research in Conceptio
Connect this record directly into your research workflow or AI agent. Explore citations across open repositories, query full text, and export structured proof bundles.
This document is indexed with metadata only: full text is not available in the archive for this record. Open the official source ↗
Related documents
- A Generalized Method for Spatial Operations on Material Property Matrices and Its Applications to Dynamic Problems#1202038
- Nanoparticle-based semiconductor solids: From synthesis to consolidation#350953
- Non-empirical double-hybrid density functionals as reliable tools for electronic structure calculations#178149
- Validity of DFT+U band gaps in all its known functional forms#1109047
- Balanced and broadly-normed meta-generalized gradient approximation#986643
Record · ID 1402961
Retrieved via Conceptio: every document is proof-bundled with source, license, and retrieval metadata.
Retrieved via Conceptio: every document is proof-bundled with source, license, and retrieval metadata.
Bring this data into your agent: Connect via MCP or API · 20 free credits to start · no card required
Read the Docs → · View CLI source on GitHub · Conceptio Open Knowledge Archive
Read the Docs → · View CLI source on GitHub · Conceptio Open Knowledge Archive