![Cover Gallery 1 jcisd8.2023.63.issue 2](https://olexandrisayev.com/wp-content/uploads/jcisd8.2023.63.issue-2-226x300.jpg)
Active Learning Guided Drug Design Lead Optimization Based on Relative Binding Free Energy Modeling
![Cover Gallery 2 Delta2 cover](https://olexandrisayev.com/wp-content/uploads/Delta2-cover-229x300.png)
Δ2 machine learning for reaction property prediction
![Cover Gallery 3 jpcafh.2023.127.issue 11](https://olexandrisayev.com/wp-content/uploads/jpcafh.2023.127.issue-11-226x300.jpg)
Machine Learning Interatomic Potentials and Long-Range Physics
![Cover Gallery 4 jcisd8.2022.62.issue 22](https://olexandrisayev.com/wp-content/uploads/jcisd8.2022.62.issue-22-226x300.jpg)
Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network Potentials
![Cover Gallery 5 achre4.2021.54.issue 7](https://olexandrisayev.com/wp-content/uploads/achre4.2021.54.issue-7-226x300.png)
Development of Multimodal Machine Learning Potentials: Toward a Physics-Aware Artificial Intelligence
![Cover Gallery 6 jcisd8.2020.60.issue 7](https://olexandrisayev.com/wp-content/uploads/jcisd8.2020.60.issue-7-226x300.jpg)