Supporting data for High-Accuracy Dataset Generation and Machine Learning Enhancement of Density Functional Theory
<p dir="ltr">Computational chemistry combines theoretical chemistry with computer simulations to simulate and calculate molecular properties and chemical reactions. Due to their complex structures, organic molecules are relatively difficult to handle in computational chemistry. As an...
Saved in:
| Main Author: | |
|---|---|
| Published: |
2025
|
| Subjects: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|