Koc University Digital Collections
metadata only
Evaluating charge equilibration methods to generate electrostatic fields in nanoporous materials
Charge equilibration (Qeq) methods can estimate the electrostatic potential of molecules and periodic frameworks by assigning point charges to each atom, using only a small fraction of the resources needed to compute density functional (DFT)-derived charges. This makes possible, for example, the com
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
- Stress-based structure optimization for a range-separated hybrid van der Waals density functional#1143079
- Charge-Transfer Electronic Structure of NiX$_2$ (X = S, Se)#822545
- What Photocurrent Versus Effective Voltage Tells Us About Charge Generation in Organic Solar Cells#972117
- Role of the cation formal charge in cation-π interaction. A survey involving the [2.2.2]paracyclophane host from relativistic DFT calculations#948959
- Optimizing Quantum Dots Integration for Enhanced Charge Dynamics In Carbon Perovskite Solar Cells#120681
Record · ID 955338
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